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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/RNA-8fcdf768/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-8fcdf768/inputs/seq.fa: 1
curr_seq: _UCGCACCACUGCACUCUAGCCUUGGCAACAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UCGCACCACUGCACUCUAGCCUUGGCAACAG
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _.....(((..((......))..)))......_
nucl1: 11, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 10, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 7, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 6, chain1: 0, <---> nucl2: 23, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 23
nucl1: 5, chain1: 0, <---> nucl2: 24, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 24
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_DIST_RNA)
chem. 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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_DIST_RNA)
chem. 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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_DIST_RNA)
chem. 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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_DIST_RNA)
chem. 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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_DIST_RNA)
chem. 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: 56.933173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 56.933173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453287 (E_RNA)
where:
Base-Base interactions energy: -2.347
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 174.386 (S_DIST_RNA)
chem. 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: -270.386288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.386288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.419135 (E_RNA)
where:
Base-Base interactions energy: -177.783
where: short stacking energy: -87.184
Base-Backbone interact. energy: -0.113
local terms energy: -92.523675
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.033 (S_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: -220.078941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.078941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.252762 (E_RNA)
where:
Base-Base interactions energy: -138.235
where: short stacking energy: -76.801
Base-Backbone interact. energy: -0.272
local terms energy: -82.745556
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 1.174 (S_DIST_RNA)
chem. 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: -218.095302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.095302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.683649 (E_RNA)
where:
Base-Base interactions energy: -136.018
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.311
local terms energy: -84.355221
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 2.588 (S_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: -231.289193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.289193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.663113 (E_RNA)
where:
Base-Base interactions energy: -137.584
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.891
local terms energy: -93.187965
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. 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: -208.345531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.345531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380557 (E_RNA)
where:
Base-Base interactions energy: -128.452
where: short stacking energy: -58.900
Base-Backbone interact. energy: -0.434
local terms energy: -79.494800
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.035 (S_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: -178.735733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.205250 (E_RNA)
where:
Base-Base interactions energy: -103.399
where: short stacking energy: -55.726
Base-Backbone interact. energy: -1.655
local terms energy: -79.151877
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 5.470 (S_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: -194.190498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.190498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.944035 (E_RNA)
where:
Base-Base interactions energy: -120.955
where: short stacking energy: -55.670
Base-Backbone interact. energy: 0.315
local terms energy: -76.304753
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. 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: -167.818457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.818457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.028515 (E_RNA)
where:
Base-Base interactions energy: -95.449
where: short stacking energy: -42.915
Base-Backbone interact. energy: 1.754
local terms energy: -74.334153
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. 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: -158.648167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.648167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.855226 (E_RNA)
where:
Base-Base interactions energy: -102.103
where: short stacking energy: -47.518
Base-Backbone interact. energy: -0.513
local terms energy: -61.239362
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 5.207 (S_DIST_RNA)
chem. 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: -161.147304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.147304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.906054 (E_RNA)
where:
Base-Base interactions energy: -88.249
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.485
local terms energy: -76.172292
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. 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: -285.206069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.206069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.231523 (E_RNA)
where:
Base-Base interactions energy: -184.302
where: short stacking energy: -92.634
Base-Backbone interact. energy: 0.384
local terms energy: -101.313721
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -25.526
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -234.627070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.627070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.860097 (E_RNA)
where:
Base-Base interactions energy: -153.203
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.347
local terms energy: -82.310289
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 1.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -244.248172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.248172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.501328 (E_RNA)
where:
Base-Base interactions energy: -156.532
where: short stacking energy: -69.153
Base-Backbone interact. energy: 0.675
local terms energy: -90.644527
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -252.183702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.183702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.330501 (E_RNA)
where:
Base-Base interactions energy: -164.478
where: short stacking energy: -87.722
Base-Backbone interact. energy: -0.290
local terms energy: -87.562754
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -228.924733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.924733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.157611 (E_RNA)
where:
Base-Base interactions energy: -152.438
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.138
local terms energy: -76.581031
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.233 (S_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: -217.805549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.805549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.304640 (E_RNA)
where:
Base-Base interactions energy: -129.177
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.432
local terms energy: -88.695568
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.499 (S_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: -193.057152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.057152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.532551 (E_RNA)
where:
Base-Base interactions energy: -112.838
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.153
local terms energy: -81.541983
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -179.831618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.831618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.855048 (E_RNA)
where:
Base-Base interactions energy: -110.057
where: short stacking energy: -54.191
Base-Backbone interact. energy: 0.627
local terms energy: -70.424926
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -167.625309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.625309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.328978 (E_RNA)
where:
Base-Base interactions energy: -103.355
where: short stacking energy: -48.067
Base-Backbone interact. energy: 0.409
local terms energy: -70.382970
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. 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: -200.228560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.228560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.233438 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -48.174
Base-Backbone interact. energy: -1.199
local terms energy: -68.187137
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -307.018377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.018377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.079603 (E_RNA)
where:
Base-Base interactions energy: -203.329
where: short stacking energy: -91.038
Base-Backbone interact. energy: -0.038
local terms energy: -103.713032
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -255.754330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.754330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.088583 (E_RNA)
where:
Base-Base interactions energy: -167.885
where: short stacking energy: -88.925
Base-Backbone interact. energy: 0.451
local terms energy: -89.654297
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 1.334 (S_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: 4
Temperature: 1.000000
Total energy: -260.341213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.341213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.730476 (E_RNA)
where:
Base-Base interactions energy: -165.152
where: short stacking energy: -72.001
Base-Backbone interact. energy: -0.215
local terms energy: -97.363148
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -253.218100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.218100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.218100 (E_RNA)
where:
Base-Base interactions energy: -163.001
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.542
local terms energy: -89.674179
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -15.902
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: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -264.885586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.885586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.994153 (E_RNA)
where:
Base-Base interactions energy: -172.244
where: short stacking energy: -71.903
Base-Backbone interact. energy: -0.254
local terms energy: -93.495710
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 1.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -200.264059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.264059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.547988 (E_RNA)
where:
Base-Base interactions energy: -119.948
where: short stacking energy: -46.310
Base-Backbone interact. energy: -0.304
local terms energy: -80.295347
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.284 (S_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: 4
Temperature: 1.200000
Total energy: -173.731500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.731500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.082544 (E_RNA)
where:
Base-Base interactions energy: -109.644
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.472
local terms energy: -63.966543
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.351 (S_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: -183.956540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.956540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.764192 (E_RNA)
where:
Base-Base interactions energy: -94.645
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.691
local terms energy: -91.427961
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. 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: -208.343842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.343842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.470474 (E_RNA)
where:
Base-Base interactions energy: -130.875
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.663
local terms energy: -76.932281
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -148.787587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.787587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.383327 (E_RNA)
where:
Base-Base interactions energy: -91.236
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.489
local terms energy: -61.658151
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 4.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -304.686320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.686320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.693906 (E_RNA)
where:
Base-Base interactions energy: -202.772
where: short stacking energy: -80.882
Base-Backbone interact. energy: -0.184
local terms energy: -101.738353
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -268.781886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.781886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.619277 (E_RNA)
where:
Base-Base interactions energy: -183.155
where: short stacking energy: -80.331
Base-Backbone interact. energy: 0.012
local terms energy: -86.476402
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -237.171668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.171668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.171748 (E_RNA)
where:
Base-Base interactions energy: -144.858
where: short stacking energy: -71.385
Base-Backbone interact. energy: 0.640
local terms energy: -93.953729
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 1.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -284.346390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.346390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427720 (E_RNA)
where:
Base-Base interactions energy: -194.295
where: short stacking energy: -90.063
Base-Backbone interact. energy: -0.167
local terms energy: -90.966337
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: 1.081 (S_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: 5
Temperature: 1.100000
Total energy: -249.154380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.154380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.179858 (E_RNA)
where:
Base-Base interactions energy: -154.990
where: short stacking energy: -81.625
Base-Backbone interact. energy: -0.048
local terms energy: -94.141147
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -198.610589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.610589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.943365 (E_RNA)
where:
Base-Base interactions energy: -122.725
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.907
local terms energy: -75.311317
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.333 (S_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: 5
Temperature: 1.200000
Total energy: -177.571270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.605237 (E_RNA)
where:
Base-Base interactions energy: -94.682
where: short stacking energy: -48.941
Base-Backbone interact. energy: -0.037
local terms energy: -84.886699
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -199.611800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.611800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.960934 (E_RNA)
where:
Base-Base interactions energy: -136.370
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.496
local terms energy: -63.095382
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -193.491352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.491352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.518404 (E_RNA)
where:
Base-Base interactions energy: -116.531
where: short stacking energy: -52.089
Base-Backbone interact. energy: -1.071
local terms energy: -75.916136
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -194.627471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.627471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.934591 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -53.625
Base-Backbone interact. energy: -0.216
local terms energy: -78.955982
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -290.112271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.112271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.261898 (E_RNA)
where:
Base-Base interactions energy: -181.615
where: short stacking energy: -90.446
Base-Backbone interact. energy: -0.487
local terms energy: -108.160123
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.150 (S_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: -275.629652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.629652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.839479 (E_RNA)
where:
Base-Base interactions energy: -177.179
where: short stacking energy: -82.287
Base-Backbone interact. energy: 0.714
local terms energy: -100.374256
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -306.880957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.880957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.223032 (E_RNA)
where:
Base-Base interactions energy: -199.562
where: short stacking energy: -96.165
Base-Backbone interact. energy: -0.105
local terms energy: -108.556577
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -27.607
Dist. restrs. and SS energy: 1.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -240.812821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.812821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.218706 (E_RNA)
where:
Base-Base interactions energy: -150.284
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.065
local terms energy: -90.868999
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.406 (S_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: 6
Temperature: 1.100000
Total energy: -268.929304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.929304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.929304 (E_RNA)
where:
Base-Base interactions energy: -166.564
where: short stacking energy: -73.531
Base-Backbone interact. energy: -0.820
local terms energy: -101.545073
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -236.712146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.712146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.712146 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -69.302
Base-Backbone interact. energy: -0.141
local terms energy: -92.514526
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -213.481643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.481643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.487768 (E_RNA)
where:
Base-Base interactions energy: -133.441
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.158
local terms energy: -79.888961
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -219.934417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.934417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.953343 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -65.602
Base-Backbone interact. energy: -0.096
local terms energy: -83.844081
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -214.456232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.456232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.577708 (E_RNA)
where:
Base-Base interactions energy: -134.308
where: short stacking energy: -64.698
Base-Backbone interact. energy: 1.467
local terms energy: -81.737205
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -226.065582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.065582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.164746 (E_RNA)
where:
Base-Base interactions energy: -142.865
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.741
local terms energy: -82.558460
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -287.445352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.445352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.445352 (E_RNA)
where:
Base-Base interactions energy: -186.518
where: short stacking energy: -91.305
Base-Backbone interact. energy: -0.237
local terms energy: -100.690253
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -309.772376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.772376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.966600 (E_RNA)
where:
Base-Base interactions energy: -206.219
where: short stacking energy: -89.812
Base-Backbone interact. energy: -0.159
local terms energy: -104.588607
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 1.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -277.105244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.105244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.975960 (E_RNA)
where:
Base-Base interactions energy: -171.318
where: short stacking energy: -83.661
Base-Backbone interact. energy: -0.331
local terms energy: -107.327002
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -283.182237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.182237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.212216 (E_RNA)
where:
Base-Base interactions energy: -178.896
where: short stacking energy: -87.399
Base-Backbone interact. energy: -0.108
local terms energy: -104.208197
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -222.388959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.388959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.000093 (E_RNA)
where:
Base-Base interactions energy: -136.181
where: short stacking energy: -59.938
Base-Backbone interact. energy: 1.021
local terms energy: -87.839824
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -258.431044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.431044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.509697 (E_RNA)
where:
Base-Base interactions energy: -163.791
where: short stacking energy: -86.624
Base-Backbone interact. energy: -0.660
local terms energy: -94.059048
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -237.827827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.827827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.829538 (E_RNA)
where:
Base-Base interactions energy: -149.520
where: short stacking energy: -73.935
Base-Backbone interact. energy: -0.117
local terms energy: -88.192384
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -255.584151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.584151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.655010 (E_RNA)
where:
Base-Base interactions energy: -168.544
where: short stacking energy: -77.650
Base-Backbone interact. energy: -0.152
local terms energy: -86.958699
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -227.635116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.635116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.672802 (E_RNA)
where:
Base-Base interactions energy: -139.824
where: short stacking energy: -72.913
Base-Backbone interact. energy: -0.154
local terms energy: -87.694430
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -211.364669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.689435 (E_RNA)
where:
Base-Base interactions energy: -134.627
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.310
local terms energy: -76.752121
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. 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: -339.653511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.653511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.657831 (E_RNA)
where:
Base-Base interactions energy: -223.510
where: short stacking energy: -110.181
Base-Backbone interact. energy: -0.009
local terms energy: -116.138318
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -32.079
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -288.784092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.784092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.797375 (E_RNA)
where:
Base-Base interactions energy: -182.851
where: short stacking energy: -108.422
Base-Backbone interact. energy: -0.325
local terms energy: -105.621218
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -32.557
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -288.969191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.969191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.999946 (E_RNA)
where:
Base-Base interactions energy: -181.372
where: short stacking energy: -84.665
Base-Backbone interact. energy: 0.203
local terms energy: -107.831410
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -260.407415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.407415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.761507 (E_RNA)
where:
Base-Base interactions energy: -171.308
where: short stacking energy: -74.919
Base-Backbone interact. energy: -0.159
local terms energy: -90.294567
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 1.354 (S_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: 8
Temperature: 1.100000
Total energy: -262.780585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.780585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.838699 (E_RNA)
where:
Base-Base interactions energy: -166.167
where: short stacking energy: -88.600
Base-Backbone interact. energy: -0.197
local terms energy: -96.474343
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -29.151
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -230.440499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.440499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.236150 (E_RNA)
where:
Base-Base interactions energy: -144.008
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.782
local terms energy: -86.446029
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -234.433727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.433727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.864469 (E_RNA)
where:
Base-Base interactions energy: -164.171
where: short stacking energy: -77.229
Base-Backbone interact. energy: -0.830
local terms energy: -69.863550
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -238.905940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.905940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.356863 (E_RNA)
where:
Base-Base interactions energy: -152.467
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.243
local terms energy: -86.647054
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -225.140056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.140056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.229286 (E_RNA)
where:
Base-Base interactions energy: -143.057
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.464
local terms energy: -81.708299
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -183.841784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.841784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.878402 (E_RNA)
where:
Base-Base interactions energy: -117.825
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.144
local terms energy: -65.908444
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. 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: -335.707803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.707803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.801100 (E_RNA)
where:
Base-Base interactions energy: -226.832
where: short stacking energy: -106.531
Base-Backbone interact. energy: -0.002
local terms energy: -108.966606
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -298.395660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.395660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.395660 (E_RNA)
where:
Base-Base interactions energy: -188.485
where: short stacking energy: -93.569
Base-Backbone interact. energy: -0.232
local terms energy: -109.678465
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -26.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -279.606031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.606031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.770240 (E_RNA)
where:
Base-Base interactions energy: -176.108
where: short stacking energy: -88.646
Base-Backbone interact. energy: -0.116
local terms energy: -103.546627
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.164 (S_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: 9
Temperature: 1.050000
Total energy: -269.259662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.259662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.299923 (E_RNA)
where:
Base-Base interactions energy: -180.380
where: short stacking energy: -65.950
Base-Backbone interact. energy: 0.559
local terms energy: -89.479581
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.040 (S_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: -271.671150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.671150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.671150 (E_RNA)
where:
Base-Base interactions energy: -175.812
where: short stacking energy: -94.742
Base-Backbone interact. energy: -0.171
local terms energy: -95.688641
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -260.645199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.645199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.658704 (E_RNA)
where:
Base-Base interactions energy: -169.433
where: short stacking energy: -81.991
Base-Backbone interact. energy: -0.170
local terms energy: -91.056391
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -226.687099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.687099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.236174 (E_RNA)
where:
Base-Base interactions energy: -147.398
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.153
local terms energy: -79.684449
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -224.689704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.689704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.808260 (E_RNA)
where:
Base-Base interactions energy: -135.705
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.152
local terms energy: -88.951362
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. 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: -230.645021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.645021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.690688 (E_RNA)
where:
Base-Base interactions energy: -157.055
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.505
local terms energy: -73.130768
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -185.658550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088535 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -47.893
Base-Backbone interact. energy: -1.433
local terms energy: -63.813671
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -1.586
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -335.215623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.215623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.229354 (E_RNA)
where:
Base-Base interactions energy: -225.330
where: short stacking energy: -110.334
Base-Backbone interact. energy: -0.165
local terms energy: -109.733958
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -29.950
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -324.062068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.062068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.166805 (E_RNA)
where:
Base-Base interactions energy: -213.736
where: short stacking energy: -102.018
Base-Backbone interact. energy: -0.023
local terms energy: -110.407453
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -30.212
Dist. restrs. and SS energy: 0.105 (S_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: 10
Temperature: 1.000000
Total energy: -271.559656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.559656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.497032 (E_RNA)
where:
Base-Base interactions energy: -176.885
where: short stacking energy: -80.966
Base-Backbone interact. energy: -0.468
local terms energy: -95.144266
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.937 (S_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: -261.977965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.977965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.075877 (E_RNA)
where:
Base-Base interactions energy: -168.988
where: short stacking energy: -79.330
Base-Backbone interact. energy: -0.073
local terms energy: -93.014900
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.098 (S_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: 10
Temperature: 1.100000
Total energy: -271.052030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.052030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.052030 (E_RNA)
where:
Base-Base interactions energy: -176.217
where: short stacking energy: -75.913
Base-Backbone interact. energy: -0.135
local terms energy: -94.700306
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -275.082134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.082134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.237816 (E_RNA)
where:
Base-Base interactions energy: -180.749
where: short stacking energy: -86.734
Base-Backbone interact. energy: -0.664
local terms energy: -93.824507
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.156 (S_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: -236.480677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.480677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535829 (E_RNA)
where:
Base-Base interactions energy: -150.016
where: short stacking energy: -70.010
Base-Backbone interact. energy: -0.147
local terms energy: -86.372867
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -238.330999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.330999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.337879 (E_RNA)
where:
Base-Base interactions energy: -158.348
where: short stacking energy: -79.004
Base-Backbone interact. energy: 2.147
local terms energy: -82.137028
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -226.986851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986851 (E_RNA)
where:
Base-Base interactions energy: -144.023
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.862
local terms energy: -82.101471
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -18.314
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -211.541645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.541645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.584546 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.045
local terms energy: -82.916399
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -340.117110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.117110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.242285 (E_RNA)
where:
Base-Base interactions energy: -229.999
where: short stacking energy: -108.272
Base-Backbone interact. energy: -0.042
local terms energy: -110.201864
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -331.853790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.853790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.853790 (E_RNA)
where:
Base-Base interactions energy: -217.787
where: short stacking energy: -99.713
Base-Backbone interact. energy: -0.262
local terms energy: -113.805228
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -292.108191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.108191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.025921 (E_RNA)
where:
Base-Base interactions energy: -203.104
where: short stacking energy: -75.569
Base-Backbone interact. energy: -1.492
local terms energy: -88.430386
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.918 (S_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: 11
Temperature: 1.050000
Total energy: -300.877868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.877868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.891693 (E_RNA)
where:
Base-Base interactions energy: -198.153
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.006
local terms energy: -102.732260
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -254.067504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.067504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.095043 (E_RNA)
where:
Base-Base interactions energy: -157.908
where: short stacking energy: -80.665
Base-Backbone interact. energy: -0.185
local terms energy: -96.001541
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.028 (S_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: 11
Temperature: 1.150000
Total energy: -261.792147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.792147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.032341 (E_RNA)
where:
Base-Base interactions energy: -173.411
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.278
local terms energy: -88.343096
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -247.632158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.632158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.632158 (E_RNA)
where:
Base-Base interactions energy: -166.580
where: short stacking energy: -82.739
Base-Backbone interact. energy: 0.290
local terms energy: -81.342867
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -21.152
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: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -242.352827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.352827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.352827 (E_RNA)
where:
Base-Base interactions energy: -168.026
where: short stacking energy: -76.606
Base-Backbone interact. energy: -0.219
local terms energy: -74.107865
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -10.461
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: 11
Temperature: 1.300000
Total energy: -217.364558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.364558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.396121 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.425
local terms energy: -78.170054
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -209.012053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.012053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.183313 (E_RNA)
where:
Base-Base interactions energy: -132.617
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.241
local terms energy: -76.325012
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. 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: -336.490420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.490420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.496057 (E_RNA)
where:
Base-Base interactions energy: -221.422
where: short stacking energy: -108.670
Base-Backbone interact. energy: -0.087
local terms energy: -114.987467
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -29.960
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -336.121499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.121499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.133072 (E_RNA)
where:
Base-Base interactions energy: -223.757
where: short stacking energy: -118.762
Base-Backbone interact. energy: -0.003
local terms energy: -112.372970
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.012 (S_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: 12
Temperature: 1.000000
Total energy: -327.047042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.047042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.228704 (E_RNA)
where:
Base-Base interactions energy: -215.504
where: short stacking energy: -102.193
Base-Backbone interact. energy: -0.166
local terms energy: -111.558244
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -28.145
Dist. restrs. and SS energy: 0.182 (S_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: 12
Temperature: 1.050000
Total energy: -266.883706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.883706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.811454 (E_RNA)
where:
Base-Base interactions energy: -180.192
where: short stacking energy: -91.585
Base-Backbone interact. energy: 2.360
local terms energy: -91.978607
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 2.928 (S_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: 12
Temperature: 1.100000
Total energy: -266.937688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.937688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.208163 (E_RNA)
where:
Base-Base interactions energy: -171.492
where: short stacking energy: -87.853
Base-Backbone interact. energy: -0.374
local terms energy: -95.342145
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.270 (S_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: 12
Temperature: 1.150000
Total energy: -240.575717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.575717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.618456 (E_RNA)
where:
Base-Base interactions energy: -154.862
where: short stacking energy: -74.468
Base-Backbone interact. energy: -0.393
local terms energy: -85.363812
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.043 (S_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: 12
Temperature: 1.200000
Total energy: -246.631423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.631423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.641532 (E_RNA)
where:
Base-Base interactions energy: -165.262
where: short stacking energy: -72.864
Base-Backbone interact. energy: -0.025
local terms energy: -81.353857
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -242.916160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.916160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.135498 (E_RNA)
where:
Base-Base interactions energy: -156.134
where: short stacking energy: -82.335
Base-Backbone interact. energy: -0.131
local terms energy: -86.869875
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -239.006784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.006784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.049105 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -80.025
Base-Backbone interact. energy: -0.010
local terms energy: -93.106826
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -24.861
Dist. restrs. and SS energy: 0.042 (S_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: -224.532039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.532039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.654893 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -69.729
Base-Backbone interact. energy: -0.487
local terms energy: -76.814553
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. 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: -338.907362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.907362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.977408 (E_RNA)
where:
Base-Base interactions energy: -224.235
where: short stacking energy: -109.021
Base-Backbone interact. energy: 0.876
local terms energy: -115.618816
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.070 (S_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: 13
Temperature: 0.950000
Total energy: -329.240793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.240793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.240793 (E_RNA)
where:
Base-Base interactions energy: -216.896
where: short stacking energy: -96.861
Base-Backbone interact. energy: -0.174
local terms energy: -112.170162
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -327.956969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.956969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.177184 (E_RNA)
where:
Base-Base interactions energy: -213.841
where: short stacking energy: -103.152
Base-Backbone interact. energy: 0.626
local terms energy: -114.962463
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -34.012
Dist. restrs. and SS energy: 0.220 (S_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: -295.106534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.106534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.106534 (E_RNA)
where:
Base-Base interactions energy: -197.080
where: short stacking energy: -91.972
Base-Backbone interact. energy: -0.394
local terms energy: -97.632394
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -252.991473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.991473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.425357 (E_RNA)
where:
Base-Base interactions energy: -164.642
where: short stacking energy: -80.535
Base-Backbone interact. energy: 0.118
local terms energy: -89.900882
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 1.434 (S_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: 13
Temperature: 1.150000
Total energy: -249.117261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.117261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.175351 (E_RNA)
where:
Base-Base interactions energy: -161.245
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.235
local terms energy: -87.695551
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.058 (S_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: 13
Temperature: 1.200000
Total energy: -257.269709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.269709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.469624 (E_RNA)
where:
Base-Base interactions energy: -156.030
where: short stacking energy: -79.227
Base-Backbone interact. energy: -0.009
local terms energy: -101.430333
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. 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: -230.163774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.163774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.402745 (E_RNA)
where:
Base-Base interactions energy: -148.815
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.448
local terms energy: -81.139884
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -225.980406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.980406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.057838 (E_RNA)
where:
Base-Base interactions energy: -144.694
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.142
local terms energy: -81.222182
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -2.349
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.077 (S_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: -216.420342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.420342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.677590 (E_RNA)
where:
Base-Base interactions energy: -139.067
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.834
local terms energy: -76.777017
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -341.745564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.745564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.837686 (E_RNA)
where:
Base-Base interactions energy: -235.677
where: short stacking energy: -104.310
Base-Backbone interact. energy: -0.065
local terms energy: -106.095167
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -30.803
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -333.349322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.349322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.349322 (E_RNA)
where:
Base-Base interactions energy: -223.931
where: short stacking energy: -107.485
Base-Backbone interact. energy: -0.012
local terms energy: -109.406194
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -31.398
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -326.853003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.853003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.982739 (E_RNA)
where:
Base-Base interactions energy: -213.641
where: short stacking energy: -104.520
Base-Backbone interact. energy: -0.070
local terms energy: -113.271952
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -30.473
Dist. restrs. and SS energy: 0.130 (S_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: -286.715907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.715907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.811095 (E_RNA)
where:
Base-Base interactions energy: -191.635
where: short stacking energy: -81.737
Base-Backbone interact. energy: 1.792
local terms energy: -96.967959
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -258.139556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.139556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.306528 (E_RNA)
where:
Base-Base interactions energy: -171.675
where: short stacking energy: -87.540
Base-Backbone interact. energy: -0.865
local terms energy: -85.766958
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -243.661089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.661089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.661089 (E_RNA)
where:
Base-Base interactions energy: -158.816
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.672
local terms energy: -84.173280
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -21.504
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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -254.958243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.958243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.253583 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -85.014
Base-Backbone interact. energy: -0.751
local terms energy: -95.423735
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -255.917144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.917144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.177570 (E_RNA)
where:
Base-Base interactions energy: -166.567
where: short stacking energy: -87.519
Base-Backbone interact. energy: 0.328
local terms energy: -89.938171
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. 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: -205.561367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.561367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.688003 (E_RNA)
where:
Base-Base interactions energy: -129.416
where: short stacking energy: -57.416
Base-Backbone interact. energy: 0.120
local terms energy: -76.392537
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -228.533019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.539174 (E_RNA)
where:
Base-Base interactions energy: -138.685
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.062
local terms energy: -89.792256
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -331.682829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.682829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.777147 (E_RNA)
where:
Base-Base interactions energy: -212.893
where: short stacking energy: -101.854
Base-Backbone interact. energy: 0.017
local terms energy: -118.901201
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -24.745
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -29.908
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -334.484372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.484372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.500175 (E_RNA)
where:
Base-Base interactions energy: -228.286
where: short stacking energy: -101.959
Base-Backbone interact. energy: -0.118
local terms energy: -106.096579
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -336.716668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.716668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.786942 (E_RNA)
where:
Base-Base interactions energy: -219.067
where: short stacking energy: -100.853
Base-Backbone interact. energy: -0.244
local terms energy: -117.476692
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -31.752
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -275.423296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.423296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.561187 (E_RNA)
where:
Base-Base interactions energy: -177.483
where: short stacking energy: -68.031
Base-Backbone interact. energy: -0.348
local terms energy: -97.729720
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -272.392372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.392372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.677916 (E_RNA)
where:
Base-Base interactions energy: -175.452
where: short stacking energy: -85.720
Base-Backbone interact. energy: -0.188
local terms energy: -97.037969
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.286 (S_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: 15
Temperature: 1.150000
Total energy: -254.477986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.477986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.576068 (E_RNA)
where:
Base-Base interactions energy: -166.335
where: short stacking energy: -84.050
Base-Backbone interact. energy: -0.377
local terms energy: -87.863296
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -261.767501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.767501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.791652 (E_RNA)
where:
Base-Base interactions energy: -167.168
where: short stacking energy: -89.169
Base-Backbone interact. energy: -0.000
local terms energy: -94.623919
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. 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: -229.548913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.548913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.567223 (E_RNA)
where:
Base-Base interactions energy: -145.231
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.101
local terms energy: -84.235023
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -238.638371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.638371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.655064 (E_RNA)
where:
Base-Base interactions energy: -150.591
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.221
local terms energy: -87.843438
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -210.220613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.220613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.220613 (E_RNA)
where:
Base-Base interactions energy: -138.745
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.132
local terms energy: -71.343533
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -333.669205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.669205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.700582 (E_RNA)
where:
Base-Base interactions energy: -221.045
where: short stacking energy: -108.072
Base-Backbone interact. energy: -0.183
local terms energy: -112.472649
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -28.673
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -336.982641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.982641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.165330 (E_RNA)
where:
Base-Base interactions energy: -222.556
where: short stacking energy: -107.284
Base-Backbone interact. energy: -0.212
local terms energy: -114.397332
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.183 (S_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: 16
Temperature: 1.000000
Total energy: -326.496597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.496597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.550547 (E_RNA)
where:
Base-Base interactions energy: -231.130
where: short stacking energy: -113.857
Base-Backbone interact. energy: -0.331
local terms energy: -95.088791
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -273.448467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.448467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.511506 (E_RNA)
where:
Base-Base interactions energy: -172.461
where: short stacking energy: -90.637
Base-Backbone interact. energy: -0.148
local terms energy: -100.903106
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.063 (S_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: 16
Temperature: 1.100000
Total energy: -277.335074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.335074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.352446 (E_RNA)
where:
Base-Base interactions energy: -181.844
where: short stacking energy: -86.250
Base-Backbone interact. energy: -0.248
local terms energy: -95.260323
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -259.486957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.486957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.495911 (E_RNA)
where:
Base-Base interactions energy: -169.449
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.069
local terms energy: -90.977200
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -249.919963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.919963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.221745 (E_RNA)
where:
Base-Base interactions energy: -156.949
where: short stacking energy: -77.304
Base-Backbone interact. energy: 0.948
local terms energy: -94.220520
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -249.263082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.263082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.278013 (E_RNA)
where:
Base-Base interactions energy: -162.148
where: short stacking energy: -80.203
Base-Backbone interact. energy: -0.191
local terms energy: -86.939382
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -224.746824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.746824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.756786 (E_RNA)
where:
Base-Base interactions energy: -139.901
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.138
local terms energy: -84.718047
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -230.620756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.620756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644106 (E_RNA)
where:
Base-Base interactions energy: -149.213
where: short stacking energy: -67.449
Base-Backbone interact. energy: -0.355
local terms energy: -81.076327
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -335.434230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.434230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.434230 (E_RNA)
where:
Base-Base interactions energy: -218.217
where: short stacking energy: -99.832
Base-Backbone interact. energy: 0.197
local terms energy: -117.413475
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -29.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -326.618146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.618146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.626284 (E_RNA)
where:
Base-Base interactions energy: -223.300
where: short stacking energy: -90.584
Base-Backbone interact. energy: -0.129
local terms energy: -103.196638
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.008 (S_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: 17
Temperature: 1.000000
Total energy: -326.127093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.127093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.198843 (E_RNA)
where:
Base-Base interactions energy: -215.855
where: short stacking energy: -107.320
Base-Backbone interact. energy: -0.721
local terms energy: -109.623601
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -33.077
Dist. restrs. and SS energy: 0.072 (S_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: 17
Temperature: 1.050000
Total energy: -308.660193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.660193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.840736 (E_RNA)
where:
Base-Base interactions energy: -210.197
where: short stacking energy: -93.431
Base-Backbone interact. energy: -0.304
local terms energy: -98.338859
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -277.681228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.681228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.704145 (E_RNA)
where:
Base-Base interactions energy: -174.422
where: short stacking energy: -90.005
Base-Backbone interact. energy: -0.137
local terms energy: -103.144214
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.023 (S_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: 17
Temperature: 1.150000
Total energy: -257.344031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.344031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.544921 (E_RNA)
where:
Base-Base interactions energy: -165.616
where: short stacking energy: -84.617
Base-Backbone interact. energy: -0.028
local terms energy: -91.901024
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -256.785267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.785267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.892725 (E_RNA)
where:
Base-Base interactions energy: -158.682
where: short stacking energy: -84.273
Base-Backbone interact. energy: -0.221
local terms energy: -97.989325
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -261.338741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.338741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.338741 (E_RNA)
where:
Base-Base interactions energy: -176.214
where: short stacking energy: -77.629
Base-Backbone interact. energy: 2.017
local terms energy: -87.141415
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -234.062059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.062059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.104922 (E_RNA)
where:
Base-Base interactions energy: -153.365
where: short stacking energy: -71.820
Base-Backbone interact. energy: -0.695
local terms energy: -80.045201
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -225.062195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.062195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.292108 (E_RNA)
where:
Base-Base interactions energy: -144.433
where: short stacking energy: -61.035
Base-Backbone interact. energy: -0.097
local terms energy: -80.762347
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -335.124336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.124336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.619779 (E_RNA)
where:
Base-Base interactions energy: -224.227
where: short stacking energy: -107.937
Base-Backbone interact. energy: -0.754
local terms energy: -110.638630
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -29.715
Dist. restrs. and SS energy: 0.495 (S_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: 18
Temperature: 0.950000
Total energy: -334.758537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.758537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.298466 (E_RNA)
where:
Base-Base interactions energy: -231.237
where: short stacking energy: -103.633
Base-Backbone interact. energy: -0.177
local terms energy: -103.884519
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -27.992
Dist. restrs. and SS energy: 0.540 (S_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: 18
Temperature: 1.000000
Total energy: -329.149398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.149398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.287830 (E_RNA)
where:
Base-Base interactions energy: -217.779
where: short stacking energy: -105.138
Base-Backbone interact. energy: -0.117
local terms energy: -111.391905
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -314.545442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.545442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.638146 (E_RNA)
where:
Base-Base interactions energy: -202.316
where: short stacking energy: -96.186
Base-Backbone interact. energy: 0.102
local terms energy: -112.423839
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -272.726953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.726953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.736382 (E_RNA)
where:
Base-Base interactions energy: -174.046
where: short stacking energy: -91.324
Base-Backbone interact. energy: -0.585
local terms energy: -98.105305
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -26.374
Dist. restrs. and SS energy: 0.009 (S_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: 18
Temperature: 1.150000
Total energy: -243.889618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.889618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.889618 (E_RNA)
where:
Base-Base interactions energy: -150.666
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.594
local terms energy: -92.629325
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -16.260
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: 18
Temperature: 1.200000
Total energy: -261.300156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.300156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.322662 (E_RNA)
where:
Base-Base interactions energy: -169.626
where: short stacking energy: -81.814
Base-Backbone interact. energy: -0.118
local terms energy: -91.579400
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -23.620
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -249.826679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.826679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.356836 (E_RNA)
where:
Base-Base interactions energy: -150.746
where: short stacking energy: -66.592
Base-Backbone interact. energy: -0.606
local terms energy: -99.004690
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -215.198484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.198484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351062 (E_RNA)
where:
Base-Base interactions energy: -138.216
where: short stacking energy: -65.441
Base-Backbone interact. energy: -0.336
local terms energy: -76.799135
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -213.006167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.006167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.086712 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.607
local terms energy: -74.856092
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -328.180650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.180650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.662861 (E_RNA)
where:
Base-Base interactions energy: -229.349
where: short stacking energy: -94.649
Base-Backbone interact. energy: -0.453
local terms energy: -98.861057
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -342.669625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.669625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.669625 (E_RNA)
where:
Base-Base interactions energy: -220.352
where: short stacking energy: -104.951
Base-Backbone interact. energy: -0.028
local terms energy: -122.289098
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -34.234
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: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -330.977142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.977142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.328827 (E_RNA)
where:
Base-Base interactions energy: -232.320
where: short stacking energy: -98.486
Base-Backbone interact. energy: -1.470
local terms energy: -97.539734
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -316.980329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.980329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.048969 (E_RNA)
where:
Base-Base interactions energy: -214.666
where: short stacking energy: -98.601
Base-Backbone interact. energy: -0.402
local terms energy: -101.981173
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -264.841164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.841164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.905456 (E_RNA)
where:
Base-Base interactions energy: -164.212
where: short stacking energy: -75.509
Base-Backbone interact. energy: -0.262
local terms energy: -100.431604
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -23.823
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -269.986752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.986752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.986752 (E_RNA)
where:
Base-Base interactions energy: -174.630
where: short stacking energy: -84.909
Base-Backbone interact. energy: -0.132
local terms energy: -95.224263
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -253.251800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.251800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.659935 (E_RNA)
where:
Base-Base interactions energy: -161.831
where: short stacking energy: -70.808
Base-Backbone interact. energy: -0.637
local terms energy: -91.191928
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -210.560228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.560228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.631081 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.516
local terms energy: -81.078315
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -234.912006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.912006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.242072 (E_RNA)
where:
Base-Base interactions energy: -154.820
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.767
local terms energy: -79.655236
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -223.412117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.560456 (E_RNA)
where:
Base-Base interactions energy: -134.339
where: short stacking energy: -56.980
Base-Backbone interact. energy: 0.408
local terms energy: -89.629093
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.148 (S_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: 20
Temperature: 0.900000
Total energy: -348.102989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.102989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.150255 (E_RNA)
where:
Base-Base interactions energy: -225.454
where: short stacking energy: -113.797
Base-Backbone interact. energy: -0.001
local terms energy: -122.695386
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -35.658
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. 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: -318.891977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.891977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.033442 (E_RNA)
where:
Base-Base interactions energy: -206.707
where: short stacking energy: -100.955
Base-Backbone interact. energy: -0.193
local terms energy: -112.133483
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -319.392548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.392548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.421262 (E_RNA)
where:
Base-Base interactions energy: -211.647
where: short stacking energy: -103.066
Base-Backbone interact. energy: -0.287
local terms energy: -107.486901
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -322.710980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.710980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.753849 (E_RNA)
where:
Base-Base interactions energy: -217.345
where: short stacking energy: -92.718
Base-Backbone interact. energy: -0.328
local terms energy: -105.081146
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -272.372797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.372797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.453219 (E_RNA)
where:
Base-Base interactions energy: -176.194
where: short stacking energy: -88.963
Base-Backbone interact. energy: 0.126
local terms energy: -96.385262
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -21.887
Dist. restrs. and SS energy: 0.080 (S_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: 20
Temperature: 1.150000
Total energy: -251.743660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.743660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.801466 (E_RNA)
where:
Base-Base interactions energy: -166.003
where: short stacking energy: -91.737
Base-Backbone interact. energy: -0.405
local terms energy: -85.393537
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -245.007084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.007084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.139908 (E_RNA)
where:
Base-Base interactions energy: -162.166
where: short stacking energy: -86.618
Base-Backbone interact. energy: -0.538
local terms energy: -82.435577
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -237.174446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.174446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.352591 (E_RNA)
where:
Base-Base interactions energy: -148.926
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.328
local terms energy: -88.098233
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -223.610638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.610638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776410 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.097
local terms energy: -90.783659
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -224.956622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.956622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.047813 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.870
local terms energy: -89.033741
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.091 (S_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: 21
Temperature: 0.900000
Total energy: -350.085197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.085197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.254347 (E_RNA)
where:
Base-Base interactions energy: -234.107
where: short stacking energy: -107.449
Base-Backbone interact. energy: -0.191
local terms energy: -115.956295
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. 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: -326.931096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.931096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.966051 (E_RNA)
where:
Base-Base interactions energy: -215.252
where: short stacking energy: -99.354
Base-Backbone interact. energy: -0.070
local terms energy: -111.643700
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -315.454456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.454456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526690 (E_RNA)
where:
Base-Base interactions energy: -214.390
where: short stacking energy: -100.317
Base-Backbone interact. energy: 1.632
local terms energy: -102.768431
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -286.329786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.329786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.398682 (E_RNA)
where:
Base-Base interactions energy: -204.166
where: short stacking energy: -93.789
Base-Backbone interact. energy: -0.790
local terms energy: -81.441947
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -7.929
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -24.398
Dist. restrs. and SS energy: 0.069 (S_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: -303.825615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.825615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.896471 (E_RNA)
where:
Base-Base interactions energy: -214.000
where: short stacking energy: -86.084
Base-Backbone interact. energy: -0.555
local terms energy: -89.341632
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. 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: -261.617761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.617761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.666274 (E_RNA)
where:
Base-Base interactions energy: -160.840
where: short stacking energy: -85.058
Base-Backbone interact. energy: -0.640
local terms energy: -100.186372
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.049 (S_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: 21
Temperature: 1.200000
Total energy: -260.630705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.630705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.782178 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -80.259
Base-Backbone interact. energy: -0.090
local terms energy: -105.877276
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -244.577214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.577214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.743806 (E_RNA)
where:
Base-Base interactions energy: -152.508
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.134
local terms energy: -92.102360
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. 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: -236.124507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.124507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.478111 (E_RNA)
where:
Base-Base interactions energy: -141.595
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.143
local terms energy: -94.740125
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -215.966681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.966681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.030273 (E_RNA)
where:
Base-Base interactions energy: -147.356
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.263
local terms energy: -68.411314
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.064 (S_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: 22
Temperature: 0.900000
Total energy: -342.748089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.748089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.777566 (E_RNA)
where:
Base-Base interactions energy: -233.147
where: short stacking energy: -105.139
Base-Backbone interact. energy: -0.874
local terms energy: -108.757090
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -34.038
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. 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: -327.597193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.597193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.779770 (E_RNA)
where:
Base-Base interactions energy: -220.198
where: short stacking energy: -107.356
Base-Backbone interact. energy: -0.160
local terms energy: -107.422575
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -28.090
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -321.387599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.387599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.459826 (E_RNA)
where:
Base-Base interactions energy: -212.646
where: short stacking energy: -91.472
Base-Backbone interact. energy: -0.157
local terms energy: -108.656774
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.072 (S_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: -276.075938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.075938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.139067 (E_RNA)
where:
Base-Base interactions energy: -176.478
where: short stacking energy: -89.793
Base-Backbone interact. energy: 1.152
local terms energy: -100.812756
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -267.370970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.370970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.589536 (E_RNA)
where:
Base-Base interactions energy: -167.974
where: short stacking energy: -91.854
Base-Backbone interact. energy: -0.205
local terms energy: -99.409863
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.219 (S_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: 22
Temperature: 1.150000
Total energy: -286.816637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.816637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.046870 (E_RNA)
where:
Base-Base interactions energy: -189.291
where: short stacking energy: -86.089
Base-Backbone interact. energy: -0.143
local terms energy: -97.612806
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.230 (S_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: 22
Temperature: 1.200000
Total energy: -254.485694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.485694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.585237 (E_RNA)
where:
Base-Base interactions energy: -168.087
where: short stacking energy: -77.882
Base-Backbone interact. energy: 0.156
local terms energy: -86.654008
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.100 (S_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: 22
Temperature: 1.250000
Total energy: -229.117880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.117880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.350136 (E_RNA)
where:
Base-Base interactions energy: -149.259
where: short stacking energy: -72.088
Base-Backbone interact. energy: -0.102
local terms energy: -79.989993
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -225.765673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.765673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.829308 (E_RNA)
where:
Base-Base interactions energy: -147.621
where: short stacking energy: -76.816
Base-Backbone interact. energy: -0.039
local terms energy: -78.169636
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.064 (S_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: -221.348638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.348638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.559533 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.134
local terms energy: -82.416920
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.211 (S_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: 23
Temperature: 0.900000
Total energy: -346.058626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.058626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.066187 (E_RNA)
where:
Base-Base interactions energy: -229.941
where: short stacking energy: -111.578
Base-Backbone interact. energy: -0.294
local terms energy: -115.831675
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. 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: -328.206606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.206606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.678301 (E_RNA)
where:
Base-Base interactions energy: -214.663
where: short stacking energy: -96.825
Base-Backbone interact. energy: -0.150
local terms energy: -113.865827
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -29.680
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -313.621559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.621559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.323317 (E_RNA)
where:
Base-Base interactions energy: -203.151
where: short stacking energy: -99.557
Base-Backbone interact. energy: -0.003
local terms energy: -112.169283
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -30.695
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -279.661086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.661086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.863918 (E_RNA)
where:
Base-Base interactions energy: -186.205
where: short stacking energy: -91.075
Base-Backbone interact. energy: -0.190
local terms energy: -93.468074
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -260.961392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.961392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.128095 (E_RNA)
where:
Base-Base interactions energy: -171.217
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.159
local terms energy: -89.752481
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.167 (S_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: 23
Temperature: 1.150000
Total energy: -292.217436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.217436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.350930 (E_RNA)
where:
Base-Base interactions energy: -199.543
where: short stacking energy: -100.489
Base-Backbone interact. energy: -0.600
local terms energy: -92.208148
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.133 (S_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: 23
Temperature: 1.200000
Total energy: -255.722634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.722634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.722634 (E_RNA)
where:
Base-Base interactions energy: -164.400
where: short stacking energy: -80.828
Base-Backbone interact. energy: -0.217
local terms energy: -91.104988
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -24.221
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: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -228.013161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.013161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.167895 (E_RNA)
where:
Base-Base interactions energy: -143.742
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.489
local terms energy: -83.936764
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -221.774072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.774072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.031648 (E_RNA)
where:
Base-Base interactions energy: -136.904
where: short stacking energy: -68.135
Base-Backbone interact. energy: -0.306
local terms energy: -84.822177
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.258 (S_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: -231.495754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.495754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.664626 (E_RNA)
where:
Base-Base interactions energy: -140.420
where: short stacking energy: -52.949
Base-Backbone interact. energy: 1.599
local terms energy: -92.843478
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.169 (S_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: 24
Temperature: 0.900000
Total energy: -337.962179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.962179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.007323 (E_RNA)
where:
Base-Base interactions energy: -225.995
where: short stacking energy: -107.345
Base-Backbone interact. energy: -0.139
local terms energy: -111.873602
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -320.698985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.698985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.885454 (E_RNA)
where:
Base-Base interactions energy: -216.358
where: short stacking energy: -105.051
Base-Backbone interact. energy: 0.745
local terms energy: -105.272706
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -29.590
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -314.939340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.939340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.957028 (E_RNA)
where:
Base-Base interactions energy: -209.863
where: short stacking energy: -97.905
Base-Backbone interact. energy: -0.080
local terms energy: -105.013426
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -30.442
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -271.682408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.682408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.688664 (E_RNA)
where:
Base-Base interactions energy: -173.800
where: short stacking energy: -89.845
Base-Backbone interact. energy: -0.966
local terms energy: -96.923144
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.006 (S_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: 24
Temperature: 1.100000
Total energy: -274.058785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.058785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.082507 (E_RNA)
where:
Base-Base interactions energy: -173.433
where: short stacking energy: -83.734
Base-Backbone interact. energy: 1.083
local terms energy: -101.732684
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. 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: -260.728972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.728972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.835723 (E_RNA)
where:
Base-Base interactions energy: -165.870
where: short stacking energy: -83.725
Base-Backbone interact. energy: -0.116
local terms energy: -94.849060
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -21.666
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -253.218590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.218590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.455140 (E_RNA)
where:
Base-Base interactions energy: -156.595
where: short stacking energy: -82.240
Base-Backbone interact. energy: -0.072
local terms energy: -96.788897
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -248.601712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.601712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.700627 (E_RNA)
where:
Base-Base interactions energy: -152.264
where: short stacking energy: -77.665
Base-Backbone interact. energy: -0.353
local terms energy: -96.083474
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -237.038394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.038394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.489095 (E_RNA)
where:
Base-Base interactions energy: -154.860
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.276
local terms energy: -82.353182
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -187.845773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.845773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.084117 (E_RNA)
where:
Base-Base interactions energy: -117.449
where: short stacking energy: -46.806
Base-Backbone interact. energy: -0.400
local terms energy: -70.235051
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.238 (S_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: 25
Temperature: 0.900000
Total energy: -332.980225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.980225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.080642 (E_RNA)
where:
Base-Base interactions energy: -220.693
where: short stacking energy: -110.145
Base-Backbone interact. energy: -0.003
local terms energy: -112.384610
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -30.226
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -314.360812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.360812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.361097 (E_RNA)
where:
Base-Base interactions energy: -210.021
where: short stacking energy: -96.558
Base-Backbone interact. energy: -0.279
local terms energy: -104.061845
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -312.300614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.300614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.645681 (E_RNA)
where:
Base-Base interactions energy: -213.263
where: short stacking energy: -109.207
Base-Backbone interact. energy: -0.015
local terms energy: -99.367872
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.345 (S_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: 25
Temperature: 1.050000
Total energy: -285.672856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.672856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.672856 (E_RNA)
where:
Base-Base interactions energy: -190.105
where: short stacking energy: -93.107
Base-Backbone interact. energy: 0.581
local terms energy: -96.148229
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -20.150
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: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -255.609550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.609550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.633691 (E_RNA)
where:
Base-Base interactions energy: -162.292
where: short stacking energy: -80.931
Base-Backbone interact. energy: 0.227
local terms energy: -93.568696
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -255.282978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.282978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.391216 (E_RNA)
where:
Base-Base interactions energy: -168.644
where: short stacking energy: -78.566
Base-Backbone interact. energy: -0.325
local terms energy: -86.422558
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -245.091469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.091469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.120653 (E_RNA)
where:
Base-Base interactions energy: -155.941
where: short stacking energy: -77.331
Base-Backbone interact. energy: -0.010
local terms energy: -89.169456
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -218.104181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.395168 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -73.953
Base-Backbone interact. energy: 0.444
local terms energy: -75.172752
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -224.787364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.787364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.899104 (E_RNA)
where:
Base-Base interactions energy: -140.457
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.162
local terms energy: -84.280336
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -204.483900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.483900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.553138 (E_RNA)
where:
Base-Base interactions energy: -129.586
where: short stacking energy: -60.188
Base-Backbone interact. energy: 0.397
local terms energy: -75.364022
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -322.890195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.890195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.104668 (E_RNA)
where:
Base-Base interactions energy: -214.654
where: short stacking energy: -102.476
Base-Backbone interact. energy: -0.139
local terms energy: -108.312252
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -337.443901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.443901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.500288 (E_RNA)
where:
Base-Base interactions energy: -227.174
where: short stacking energy: -112.223
Base-Backbone interact. energy: -0.268
local terms energy: -110.057919
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.056 (S_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: -275.977506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.977506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.006938 (E_RNA)
where:
Base-Base interactions energy: -175.287
where: short stacking energy: -87.870
Base-Backbone interact. energy: 0.265
local terms energy: -100.984821
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -319.038829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.038829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.104001 (E_RNA)
where:
Base-Base interactions energy: -216.510
where: short stacking energy: -100.714
Base-Backbone interact. energy: -0.106
local terms energy: -102.488641
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.065 (S_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: 26
Temperature: 1.100000
Total energy: -296.788417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.788417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.807414 (E_RNA)
where:
Base-Base interactions energy: -198.442
where: short stacking energy: -101.865
Base-Backbone interact. energy: -0.307
local terms energy: -98.058375
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -29.990
Dist. restrs. and SS energy: 0.019 (S_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: 26
Temperature: 1.150000
Total energy: -245.221513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.221513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.277572 (E_RNA)
where:
Base-Base interactions energy: -147.851
where: short stacking energy: -77.448
Base-Backbone interact. energy: 0.439
local terms energy: -97.865587
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -245.770665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.770665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.232138 (E_RNA)
where:
Base-Base interactions energy: -143.119
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.103
local terms energy: -103.009811
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -229.342365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.342365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.575241 (E_RNA)
where:
Base-Base interactions energy: -150.647
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.167
local terms energy: -78.760830
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -221.790255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.790255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.796929 (E_RNA)
where:
Base-Base interactions energy: -135.953
where: short stacking energy: -67.577
Base-Backbone interact. energy: 0.548
local terms energy: -86.391981
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -182.403241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.403241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.455896 (E_RNA)
where:
Base-Base interactions energy: -110.223
where: short stacking energy: -40.398
Base-Backbone interact. energy: 1.154
local terms energy: -73.386998
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -323.895925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.895925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.098227 (E_RNA)
where:
Base-Base interactions energy: -221.027
where: short stacking energy: -95.723
Base-Backbone interact. energy: -0.256
local terms energy: -102.814578
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -335.163693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.163693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.243698 (E_RNA)
where:
Base-Base interactions energy: -226.341
where: short stacking energy: -111.744
Base-Backbone interact. energy: -0.034
local terms energy: -108.868434
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -29.349
Dist. restrs. and SS energy: 0.080 (S_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: 27
Temperature: 1.000000
Total energy: -284.643055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.643055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.664622 (E_RNA)
where:
Base-Base interactions energy: -174.985
where: short stacking energy: -95.576
Base-Backbone interact. energy: -0.174
local terms energy: -109.505117
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.022 (S_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: -302.964911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.964911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.964911 (E_RNA)
where:
Base-Base interactions energy: -203.684
where: short stacking energy: -93.494
Base-Backbone interact. energy: -0.168
local terms energy: -99.113513
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -26.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -291.882178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.882178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.915147 (E_RNA)
where:
Base-Base interactions energy: -193.818
where: short stacking energy: -89.523
Base-Backbone interact. energy: -0.344
local terms energy: -97.753528
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -28.121
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -257.703065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.703065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.945894 (E_RNA)
where:
Base-Base interactions energy: -158.095
where: short stacking energy: -78.146
Base-Backbone interact. energy: -1.308
local terms energy: -98.542980
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -244.827907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.827907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.879601 (E_RNA)
where:
Base-Base interactions energy: -159.363
where: short stacking energy: -76.981
Base-Backbone interact. energy: -0.153
local terms energy: -85.364396
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -247.079499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.305627 (E_RNA)
where:
Base-Base interactions energy: -160.912
where: short stacking energy: -79.496
Base-Backbone interact. energy: -0.029
local terms energy: -86.364589
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. 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: -234.502368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.502368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.206485 (E_RNA)
where:
Base-Base interactions energy: -150.363
where: short stacking energy: -75.861
Base-Backbone interact. energy: -0.597
local terms energy: -84.246418
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -203.424017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.935830 (E_RNA)
where:
Base-Base interactions energy: -124.473
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.224
local terms energy: -79.238907
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.512 (S_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: 28
Temperature: 0.900000
Total energy: -324.651792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.651792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.654160 (E_RNA)
where:
Base-Base interactions energy: -214.143
where: short stacking energy: -105.593
Base-Backbone interact. energy: -0.199
local terms energy: -110.311880
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -24.799
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -322.425625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.425625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.478589 (E_RNA)
where:
Base-Base interactions energy: -213.877
where: short stacking energy: -94.729
Base-Backbone interact. energy: -0.930
local terms energy: -107.671576
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.053 (S_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: 28
Temperature: 1.000000
Total energy: -321.219270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.219270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.344520 (E_RNA)
where:
Base-Base interactions energy: -216.269
where: short stacking energy: -102.416
Base-Backbone interact. energy: -0.279
local terms energy: -104.796060
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -31.996
Dist. restrs. and SS energy: 0.125 (S_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: 28
Temperature: 1.050000
Total energy: -281.374229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.374229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.653342 (E_RNA)
where:
Base-Base interactions energy: -189.854
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.291
local terms energy: -91.508793
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. 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: -295.398549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.398549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.416940 (E_RNA)
where:
Base-Base interactions energy: -195.552
where: short stacking energy: -92.067
Base-Backbone interact. energy: -0.080
local terms energy: -99.784858
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -301.544621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.544621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.120508 (E_RNA)
where:
Base-Base interactions energy: -200.766
where: short stacking energy: -87.164
Base-Backbone interact. energy: -0.318
local terms energy: -101.036924
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.576 (S_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: 28
Temperature: 1.200000
Total energy: -253.080987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.080987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.134636 (E_RNA)
where:
Base-Base interactions energy: -161.282
where: short stacking energy: -71.883
Base-Backbone interact. energy: -0.444
local terms energy: -91.409278
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -254.216586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.216586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.238505 (E_RNA)
where:
Base-Base interactions energy: -164.256
where: short stacking energy: -82.546
Base-Backbone interact. energy: -0.196
local terms energy: -89.786190
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -208.954830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.954830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.100560 (E_RNA)
where:
Base-Base interactions energy: -145.473
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.226
local terms energy: -63.401693
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.146 (S_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: -247.918356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.918356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.993493 (E_RNA)
where:
Base-Base interactions energy: -173.773
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.270
local terms energy: -73.950907
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.075 (S_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: 29
Temperature: 0.900000
Total energy: -321.151396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.151396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.225454 (E_RNA)
where:
Base-Base interactions energy: -199.318
where: short stacking energy: -107.739
Base-Backbone interact. energy: -0.012
local terms energy: -121.895905
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -33.575
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -337.961916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.961916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.083238 (E_RNA)
where:
Base-Base interactions energy: -227.778
where: short stacking energy: -113.140
Base-Backbone interact. energy: 0.345
local terms energy: -110.649630
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -34.418
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -323.701273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.701273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.842743 (E_RNA)
where:
Base-Base interactions energy: -217.141
where: short stacking energy: -98.384
Base-Backbone interact. energy: -0.058
local terms energy: -106.643516
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.141 (S_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: 29
Temperature: 1.050000
Total energy: -290.355096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.355096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.540768 (E_RNA)
where:
Base-Base interactions energy: -196.855
where: short stacking energy: -96.523
Base-Backbone interact. energy: -0.019
local terms energy: -93.667081
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -317.843633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.843633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.855401 (E_RNA)
where:
Base-Base interactions energy: -210.902
where: short stacking energy: -109.254
Base-Backbone interact. energy: -0.010
local terms energy: -106.943994
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -30.777
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -281.167118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.167118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.205230 (E_RNA)
where:
Base-Base interactions energy: -183.491
where: short stacking energy: -91.470
Base-Backbone interact. energy: -0.252
local terms energy: -97.462432
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.038 (S_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: 29
Temperature: 1.200000
Total energy: -262.052042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.052042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.072393 (E_RNA)
where:
Base-Base interactions energy: -171.903
where: short stacking energy: -81.087
Base-Backbone interact. energy: -0.056
local terms energy: -90.113424
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.020 (S_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: 29
Temperature: 1.250000
Total energy: -268.508624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.508624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.676679 (E_RNA)
where:
Base-Base interactions energy: -187.378
where: short stacking energy: -75.446
Base-Backbone interact. energy: -0.376
local terms energy: -81.922114
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 1.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -239.525439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569391 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.232
local terms energy: -86.615786
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.044 (S_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: -236.204710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.204710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.204710 (E_RNA)
where:
Base-Base interactions energy: -159.861
where: short stacking energy: -67.966
Base-Backbone interact. energy: -0.444
local terms energy: -75.899089
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -352.971190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.971190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.066021 (E_RNA)
where:
Base-Base interactions energy: -237.686
where: short stacking energy: -121.003
Base-Backbone interact. energy: 0.198
local terms energy: -115.577742
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -35.242
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -337.301813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.301813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.331032 (E_RNA)
where:
Base-Base interactions energy: -229.617
where: short stacking energy: -101.616
Base-Backbone interact. energy: -0.083
local terms energy: -107.630610
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -29.690
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -325.033137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.033137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.033137 (E_RNA)
where:
Base-Base interactions energy: -220.537
where: short stacking energy: -100.960
Base-Backbone interact. energy: 0.017
local terms energy: -104.512866
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -28.674
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -284.972413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.972413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.972413 (E_RNA)
where:
Base-Base interactions energy: -193.066
where: short stacking energy: -96.551
Base-Backbone interact. energy: -0.104
local terms energy: -91.802279
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -28.782
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: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -306.739665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.739665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.911599 (E_RNA)
where:
Base-Base interactions energy: -205.784
where: short stacking energy: -96.091
Base-Backbone interact. energy: -0.894
local terms energy: -100.233897
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -293.402398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.402398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.497838 (E_RNA)
where:
Base-Base interactions energy: -195.705
where: short stacking energy: -93.718
Base-Backbone interact. energy: 2.362
local terms energy: -100.154928
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: 0.095 (S_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: 30
Temperature: 1.200000
Total energy: -284.747265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.747265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.769580 (E_RNA)
where:
Base-Base interactions energy: -190.081
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.627
local terms energy: -94.060840
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -245.791477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.791477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.912356 (E_RNA)
where:
Base-Base interactions energy: -157.252
where: short stacking energy: -80.282
Base-Backbone interact. energy: -0.238
local terms energy: -88.422078
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. 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: -239.185358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.185358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.492098 (E_RNA)
where:
Base-Base interactions energy: -148.759
where: short stacking energy: -75.810
Base-Backbone interact. energy: -0.053
local terms energy: -90.679854
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -232.669490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.669490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.919676 (E_RNA)
where:
Base-Base interactions energy: -145.897
where: short stacking energy: -71.784
Base-Backbone interact. energy: -0.389
local terms energy: -86.633298
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -349.628009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.628009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.652399 (E_RNA)
where:
Base-Base interactions energy: -235.135
where: short stacking energy: -112.554
Base-Backbone interact. energy: -0.008
local terms energy: -114.509587
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -33.535
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -340.060162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.060162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.080370 (E_RNA)
where:
Base-Base interactions energy: -230.191
where: short stacking energy: -108.862
Base-Backbone interact. energy: -0.085
local terms energy: -109.804226
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -30.282
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -325.380982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.380982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.795044 (E_RNA)
where:
Base-Base interactions energy: -220.272
where: short stacking energy: -104.159
Base-Backbone interact. energy: -0.453
local terms energy: -105.070057
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -28.801
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -317.235853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.235853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.283406 (E_RNA)
where:
Base-Base interactions energy: -208.339
where: short stacking energy: -90.108
Base-Backbone interact. energy: 0.115
local terms energy: -109.059508
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -25.545
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -267.312763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.312763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.527596 (E_RNA)
where:
Base-Base interactions energy: -175.493
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.139
local terms energy: -91.895957
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.215 (S_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: 31
Temperature: 1.150000
Total energy: -266.745077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.745077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.817498 (E_RNA)
where:
Base-Base interactions energy: -177.936
where: short stacking energy: -83.571
Base-Backbone interact. energy: -0.061
local terms energy: -88.820374
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -23.136
Dist. restrs. and SS energy: 0.072 (S_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: 31
Temperature: 1.200000
Total energy: -284.771633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.771633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.771633 (E_RNA)
where:
Base-Base interactions energy: -192.174
where: short stacking energy: -89.646
Base-Backbone interact. energy: -0.356
local terms energy: -92.241698
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -25.200
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: 31
Temperature: 1.250000
Total energy: -251.663303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.663303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.735161 (E_RNA)
where:
Base-Base interactions energy: -163.766
where: short stacking energy: -85.671
Base-Backbone interact. energy: -0.012
local terms energy: -87.956345
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -247.264983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.264983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.264983 (E_RNA)
where:
Base-Base interactions energy: -165.521
where: short stacking energy: -80.400
Base-Backbone interact. energy: -1.032
local terms energy: -80.711878
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -234.908440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.908440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.064988 (E_RNA)
where:
Base-Base interactions energy: -145.559
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.326
local terms energy: -89.179766
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.157 (S_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: 32
Temperature: 0.900000
Total energy: -339.174887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.174887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.200094 (E_RNA)
where:
Base-Base interactions energy: -218.178
where: short stacking energy: -105.639
Base-Backbone interact. energy: -1.289
local terms energy: -119.733254
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -33.134
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -344.060303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.060303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.076672 (E_RNA)
where:
Base-Base interactions energy: -235.758
where: short stacking energy: -112.573
Base-Backbone interact. energy: -0.102
local terms energy: -108.216328
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -316.815307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.815307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.860596 (E_RNA)
where:
Base-Base interactions energy: -208.737
where: short stacking energy: -94.018
Base-Backbone interact. energy: 0.472
local terms energy: -108.595939
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -26.815
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. 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: -309.886455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.886455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.007381 (E_RNA)
where:
Base-Base interactions energy: -206.993
where: short stacking energy: -105.131
Base-Backbone interact. energy: -0.150
local terms energy: -102.864090
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -244.554542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.554542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.674728 (E_RNA)
where:
Base-Base interactions energy: -167.394
where: short stacking energy: -86.352
Base-Backbone interact. energy: -0.234
local terms energy: -77.046725
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -257.643065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.643065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.668338 (E_RNA)
where:
Base-Base interactions energy: -173.615
where: short stacking energy: -79.844
Base-Backbone interact. energy: -0.126
local terms energy: -83.928067
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.025 (S_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: 32
Temperature: 1.200000
Total energy: -249.004736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.004736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.041121 (E_RNA)
where:
Base-Base interactions energy: -167.041
where: short stacking energy: -83.576
Base-Backbone interact. energy: 1.084
local terms energy: -83.083863
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -230.097460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.097460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.475817 (E_RNA)
where:
Base-Base interactions energy: -150.227
where: short stacking energy: -79.054
Base-Backbone interact. energy: 0.118
local terms energy: -80.366834
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -230.656140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.656140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.656140 (E_RNA)
where:
Base-Base interactions energy: -147.403
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.025
local terms energy: -83.228512
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -17.644
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: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -242.216558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.216558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.408318 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -74.481
Base-Backbone interact. energy: -0.030
local terms energy: -94.109518
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.192 (S_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: 33
Temperature: 0.900000
Total energy: -342.282313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.282313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.459425 (E_RNA)
where:
Base-Base interactions energy: -220.673
where: short stacking energy: -117.921
Base-Backbone interact. energy: -0.189
local terms energy: -121.597308
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -330.712303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.712303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.853630 (E_RNA)
where:
Base-Base interactions energy: -222.548
where: short stacking energy: -111.070
Base-Backbone interact. energy: 0.760
local terms energy: -109.065521
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -30.637
Dist. restrs. and SS energy: 0.141 (S_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: -335.552423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.552423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.558924 (E_RNA)
where:
Base-Base interactions energy: -220.323
where: short stacking energy: -105.395
Base-Backbone interact. energy: -0.063
local terms energy: -115.172903
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. 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: -290.866382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.866382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.871527 (E_RNA)
where:
Base-Base interactions energy: -203.746
where: short stacking energy: -96.585
Base-Backbone interact. energy: 0.128
local terms energy: -87.253576
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -28.790
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -249.187934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.187934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.215284 (E_RNA)
where:
Base-Base interactions energy: -152.331
where: short stacking energy: -79.707
Base-Backbone interact. energy: -0.231
local terms energy: -96.653578
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -268.027493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.027493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.171461 (E_RNA)
where:
Base-Base interactions energy: -175.407
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.137
local terms energy: -92.627621
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -261.789205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.789205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.933848 (E_RNA)
where:
Base-Base interactions energy: -163.139
where: short stacking energy: -87.399
Base-Backbone interact. energy: -0.176
local terms energy: -98.618966
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -232.040092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.040092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.040092 (E_RNA)
where:
Base-Base interactions energy: -144.829
where: short stacking energy: -68.415
Base-Backbone interact. energy: 1.882
local terms energy: -89.093086
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -237.113188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.113188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.161098 (E_RNA)
where:
Base-Base interactions energy: -158.848
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.169
local terms energy: -78.144462
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -242.173244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.173244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.292063 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -70.391
Base-Backbone interact. energy: 0.618
local terms energy: -95.127237
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -355.390583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.390583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.390583 (E_RNA)
where:
Base-Base interactions energy: -235.522
where: short stacking energy: -110.178
Base-Backbone interact. energy: -0.105
local terms energy: -119.763013
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -12.717
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: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -333.092480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.092480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.093094 (E_RNA)
where:
Base-Base interactions energy: -225.220
where: short stacking energy: -100.824
Base-Backbone interact. energy: -0.123
local terms energy: -107.749347
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 0.001 (S_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: 34
Temperature: 1.000000
Total energy: -336.300460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.300460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.424431 (E_RNA)
where:
Base-Base interactions energy: -224.478
where: short stacking energy: -111.155
Base-Backbone interact. energy: 0.275
local terms energy: -112.222017
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -307.083970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.083970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.127160 (E_RNA)
where:
Base-Base interactions energy: -199.048
where: short stacking energy: -104.595
Base-Backbone interact. energy: -0.036
local terms energy: -108.043678
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -30.424
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -272.436639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.436639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.499209 (E_RNA)
where:
Base-Base interactions energy: -176.160
where: short stacking energy: -87.585
Base-Backbone interact. energy: -0.074
local terms energy: -96.264535
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: 0.063 (S_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: 34
Temperature: 1.150000
Total energy: -248.213434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.213434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.213434 (E_RNA)
where:
Base-Base interactions energy: -163.494
where: short stacking energy: -80.315
Base-Backbone interact. energy: -0.647
local terms energy: -84.072467
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -18.719
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: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -262.930758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.930758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.129797 (E_RNA)
where:
Base-Base interactions energy: -162.522
where: short stacking energy: -79.403
Base-Backbone interact. energy: -0.574
local terms energy: -100.033983
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -22.437
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -231.834671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.834671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.847840 (E_RNA)
where:
Base-Base interactions energy: -149.873
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.274
local terms energy: -81.701718
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -242.475228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.475228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.536194 (E_RNA)
where:
Base-Base interactions energy: -154.849
where: short stacking energy: -73.779
Base-Backbone interact. energy: 5.514
local terms energy: -93.200555
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -199.112670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.112670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.753865 (E_RNA)
where:
Base-Base interactions energy: -130.063
where: short stacking energy: -62.350
Base-Backbone interact. energy: -0.620
local terms energy: -70.071612
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -352.344229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.344229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.530134 (E_RNA)
where:
Base-Base interactions energy: -234.177
where: short stacking energy: -104.592
Base-Backbone interact. energy: -0.009
local terms energy: -118.343926
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -36.012
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -347.706265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.706265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.805675 (E_RNA)
where:
Base-Base interactions energy: -227.507
where: short stacking energy: -108.629
Base-Backbone interact. energy: -0.006
local terms energy: -120.292291
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -317.110273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.110273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.227139 (E_RNA)
where:
Base-Base interactions energy: -209.029
where: short stacking energy: -101.099
Base-Backbone interact. energy: -0.171
local terms energy: -108.026714
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -294.224438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.224438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.242036 (E_RNA)
where:
Base-Base interactions energy: -191.289
where: short stacking energy: -96.057
Base-Backbone interact. energy: -0.018
local terms energy: -102.934812
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -284.204579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.204579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.223040 (E_RNA)
where:
Base-Base interactions energy: -191.921
where: short stacking energy: -96.346
Base-Backbone interact. energy: -0.081
local terms energy: -92.221135
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -276.231836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.231836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.360419 (E_RNA)
where:
Base-Base interactions energy: -171.007
where: short stacking energy: -89.096
Base-Backbone interact. energy: -0.105
local terms energy: -105.248140
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -23.602
Dist. restrs. and SS energy: 0.129 (S_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: 35
Temperature: 1.200000
Total energy: -246.327265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.327265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.424959 (E_RNA)
where:
Base-Base interactions energy: -154.814
where: short stacking energy: -86.490
Base-Backbone interact. energy: -0.106
local terms energy: -91.505028
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -25.084
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -247.057331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.057331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102859 (E_RNA)
where:
Base-Base interactions energy: -154.559
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.048
local terms energy: -92.495957
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -218.649459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.649459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.733395 (E_RNA)
where:
Base-Base interactions energy: -137.836
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.828
local terms energy: -80.069940
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -215.611916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.611916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704442 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -50.661
Base-Backbone interact. energy: -0.048
local terms energy: -76.604029
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -341.514922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.514922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.515404 (E_RNA)
where:
Base-Base interactions energy: -224.081
where: short stacking energy: -107.911
Base-Backbone interact. energy: -0.032
local terms energy: -117.402514
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -33.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -339.986446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.986446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.986446 (E_RNA)
where:
Base-Base interactions energy: -233.524
where: short stacking energy: -101.982
Base-Backbone interact. energy: -0.082
local terms energy: -106.380649
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -310.436657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.436657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.448072 (E_RNA)
where:
Base-Base interactions energy: -206.951
where: short stacking energy: -96.059
Base-Backbone interact. energy: -0.084
local terms energy: -103.412714
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -271.788906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.788906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.823187 (E_RNA)
where:
Base-Base interactions energy: -174.496
where: short stacking energy: -83.297
Base-Backbone interact. energy: -0.107
local terms energy: -97.220717
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -25.746
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -290.630610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.630610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.630610 (E_RNA)
where:
Base-Base interactions energy: -193.365
where: short stacking energy: -81.909
Base-Backbone interact. energy: -0.029
local terms energy: -97.236085
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -268.543900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.543900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.549118 (E_RNA)
where:
Base-Base interactions energy: -175.667
where: short stacking energy: -88.367
Base-Backbone interact. energy: -0.281
local terms energy: -92.600687
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.005 (S_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: 36
Temperature: 1.200000
Total energy: -251.204718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.204718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.222407 (E_RNA)
where:
Base-Base interactions energy: -155.904
where: short stacking energy: -85.111
Base-Backbone interact. energy: -0.168
local terms energy: -95.150302
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.018 (S_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: 36
Temperature: 1.250000
Total energy: -238.061338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.061338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.136402 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.568
local terms energy: -90.717382
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -238.237581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.237581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.298876 (E_RNA)
where:
Base-Base interactions energy: -157.901
where: short stacking energy: -73.464
Base-Backbone interact. energy: 0.369
local terms energy: -80.766877
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -198.377763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.377763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.455658 (E_RNA)
where:
Base-Base interactions energy: -129.719
where: short stacking energy: -53.321
Base-Backbone interact. energy: -0.584
local terms energy: -68.152387
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -344.598532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.598532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.652754 (E_RNA)
where:
Base-Base interactions energy: -235.493
where: short stacking energy: -108.945
Base-Backbone interact. energy: -0.151
local terms energy: -109.008033
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -30.634
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -325.090553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.090553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.090553 (E_RNA)
where:
Base-Base interactions energy: -214.393
where: short stacking energy: -101.778
Base-Backbone interact. energy: -0.077
local terms energy: -110.619755
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -30.988
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: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -332.062627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.062627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.107425 (E_RNA)
where:
Base-Base interactions energy: -213.926
where: short stacking energy: -106.659
Base-Backbone interact. energy: -0.001
local terms energy: -118.180577
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -32.163
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -281.780854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.780854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.780854 (E_RNA)
where:
Base-Base interactions energy: -176.460
where: short stacking energy: -84.021
Base-Backbone interact. energy: -0.724
local terms energy: -104.597230
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -22.556
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -314.236183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.236183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.264945 (E_RNA)
where:
Base-Base interactions energy: -204.321
where: short stacking energy: -92.160
Base-Backbone interact. energy: -0.218
local terms energy: -109.725419
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -27.801
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -269.068971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.068971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.159337 (E_RNA)
where:
Base-Base interactions energy: -176.662
where: short stacking energy: -95.424
Base-Backbone interact. energy: -0.353
local terms energy: -92.144530
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -23.476
Dist. restrs. and SS energy: 0.090 (S_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: 37
Temperature: 1.200000
Total energy: -235.188979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.188979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.267132 (E_RNA)
where:
Base-Base interactions energy: -148.799
where: short stacking energy: -81.489
Base-Backbone interact. energy: -0.083
local terms energy: -86.385429
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -237.130849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.130849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.180740 (E_RNA)
where:
Base-Base interactions energy: -150.470
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.867
local terms energy: -85.844048
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -231.936169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.936169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.206835 (E_RNA)
where:
Base-Base interactions energy: -154.203
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.075
local terms energy: -77.929418
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -198.242137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.242137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.520227 (E_RNA)
where:
Base-Base interactions energy: -105.129
where: short stacking energy: -52.194
Base-Backbone interact. energy: -0.794
local terms energy: -92.597241
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -328.602041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.602041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.602041 (E_RNA)
where:
Base-Base interactions energy: -214.244
where: short stacking energy: -102.744
Base-Backbone interact. energy: -0.354
local terms energy: -114.003792
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -346.980182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.980182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.034538 (E_RNA)
where:
Base-Base interactions energy: -230.005
where: short stacking energy: -104.938
Base-Backbone interact. energy: -0.828
local terms energy: -116.201702
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -31.288
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -325.449078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.449078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.449078 (E_RNA)
where:
Base-Base interactions energy: -219.147
where: short stacking energy: -102.555
Base-Backbone interact. energy: -0.065
local terms energy: -106.236826
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -29.167
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: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -306.169564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.169564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.214608 (E_RNA)
where:
Base-Base interactions energy: -198.912
where: short stacking energy: -89.475
Base-Backbone interact. energy: -0.278
local terms energy: -107.024627
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.045 (S_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: 38
Temperature: 1.100000
Total energy: -261.882434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.882434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.053152 (E_RNA)
where:
Base-Base interactions energy: -166.706
where: short stacking energy: -91.522
Base-Backbone interact. energy: -0.030
local terms energy: -95.317792
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -304.302781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.302781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.352911 (E_RNA)
where:
Base-Base interactions energy: -201.713
where: short stacking energy: -101.716
Base-Backbone interact. energy: 0.419
local terms energy: -103.058716
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -28.735
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -243.357324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.357324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.831390 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.083
local terms energy: -92.275769
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -247.021649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.021649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.304374 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -76.104
Base-Backbone interact. energy: -0.857
local terms energy: -91.800341
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -205.465959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.465959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.491413 (E_RNA)
where:
Base-Base interactions energy: -115.998
where: short stacking energy: -48.217
Base-Backbone interact. energy: -0.383
local terms energy: -89.110003
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -211.582519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.582519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.668438 (E_RNA)
where:
Base-Base interactions energy: -140.319
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.138
local terms energy: -71.211136
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -342.833312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.833312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.261088 (E_RNA)
where:
Base-Base interactions energy: -232.048
where: short stacking energy: -110.025
Base-Backbone interact. energy: -0.101
local terms energy: -112.111776
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -33.768
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -329.693821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.693821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.718067 (E_RNA)
where:
Base-Base interactions energy: -216.508
where: short stacking energy: -101.926
Base-Backbone interact. energy: -0.245
local terms energy: -112.964253
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -344.080023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.080023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.090709 (E_RNA)
where:
Base-Base interactions energy: -226.688
where: short stacking energy: -113.260
Base-Backbone interact. energy: -0.061
local terms energy: -117.341538
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -34.000
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -300.181275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.181275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.425785 (E_RNA)
where:
Base-Base interactions energy: -204.849
where: short stacking energy: -95.055
Base-Backbone interact. energy: -0.151
local terms energy: -95.425227
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.245 (S_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: 39
Temperature: 1.100000
Total energy: -265.979023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.979023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.016354 (E_RNA)
where:
Base-Base interactions energy: -166.931
where: short stacking energy: -79.725
Base-Backbone interact. energy: -0.189
local terms energy: -98.896669
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -309.740821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.740821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.752202 (E_RNA)
where:
Base-Base interactions energy: -202.426
where: short stacking energy: -96.212
Base-Backbone interact. energy: -0.025
local terms energy: -107.301273
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -249.358478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.358478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.472533 (E_RNA)
where:
Base-Base interactions energy: -165.797
where: short stacking energy: -71.576
Base-Backbone interact. energy: -0.646
local terms energy: -83.030272
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -244.473526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.473526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.527872 (E_RNA)
where:
Base-Base interactions energy: -160.216
where: short stacking energy: -83.678
Base-Backbone interact. energy: -0.447
local terms energy: -83.864341
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -200.017446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.017446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.088720 (E_RNA)
where:
Base-Base interactions energy: -121.113
where: short stacking energy: -54.690
Base-Backbone interact. energy: 1.129
local terms energy: -81.105237
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -215.426939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.426939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.442237 (E_RNA)
where:
Base-Base interactions energy: -138.747
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.326
local terms energy: -76.369066
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -345.509451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.509451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.620701 (E_RNA)
where:
Base-Base interactions energy: -228.760
where: short stacking energy: -108.410
Base-Backbone interact. energy: -0.098
local terms energy: -117.762417
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 1.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -339.245069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.245069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.248874 (E_RNA)
where:
Base-Base interactions energy: -223.914
where: short stacking energy: -100.805
Base-Backbone interact. energy: -0.099
local terms energy: -115.235878
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -333.353638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.353638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.353638 (E_RNA)
where:
Base-Base interactions energy: -220.891
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.234
local terms energy: -112.228329
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -31.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -326.042536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.042536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.042536 (E_RNA)
where:
Base-Base interactions energy: -222.041
where: short stacking energy: -106.611
Base-Backbone interact. energy: -0.977
local terms energy: -103.024562
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -26.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -280.174253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.174253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.198050 (E_RNA)
where:
Base-Base interactions energy: -170.776
where: short stacking energy: -83.274
Base-Backbone interact. energy: -0.034
local terms energy: -109.388063
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -255.572647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.572647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.758369 (E_RNA)
where:
Base-Base interactions energy: -162.773
where: short stacking energy: -86.076
Base-Backbone interact. energy: 0.451
local terms energy: -93.436510
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -233.368728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.368728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.421674 (E_RNA)
where:
Base-Base interactions energy: -137.717
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.308
local terms energy: -95.396518
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -249.081023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.081023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.349937 (E_RNA)
where:
Base-Base interactions energy: -151.739
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.145
local terms energy: -97.466159
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -224.887265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.887265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.919722 (E_RNA)
where:
Base-Base interactions energy: -134.113
where: short stacking energy: -70.291
Base-Backbone interact. energy: 0.905
local terms energy: -91.712394
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -173.122976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.122976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.227250 (E_RNA)
where:
Base-Base interactions energy: -113.077
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.009
local terms energy: -64.141439
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 4.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -336.025467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.025467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.848276 (E_RNA)
where:
Base-Base interactions energy: -228.915
where: short stacking energy: -103.065
Base-Backbone interact. energy: -0.082
local terms energy: -107.851510
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -337.799866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.799866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.799866 (E_RNA)
where:
Base-Base interactions energy: -218.316
where: short stacking energy: -114.566
Base-Backbone interact. energy: -0.011
local terms energy: -119.472886
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -18.366
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: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -328.342721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.342721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.527059 (E_RNA)
where:
Base-Base interactions energy: -219.806
where: short stacking energy: -105.630
Base-Backbone interact. energy: -0.015
local terms energy: -108.706251
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -30.796
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -306.400830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.400830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.513088 (E_RNA)
where:
Base-Base interactions energy: -207.453
where: short stacking energy: -87.006
Base-Backbone interact. energy: -0.756
local terms energy: -98.304371
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -280.545395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.545395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.573858 (E_RNA)
where:
Base-Base interactions energy: -173.874
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.049
local terms energy: -106.650912
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.028 (S_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: -259.600682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.600682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.715242 (E_RNA)
where:
Base-Base interactions energy: -167.756
where: short stacking energy: -67.866
Base-Backbone interact. energy: -0.713
local terms energy: -91.246586
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -248.775965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.775965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.828749 (E_RNA)
where:
Base-Base interactions energy: -152.223
where: short stacking energy: -79.093
Base-Backbone interact. energy: -0.334
local terms energy: -96.272355
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.053 (S_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: -231.665129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.665129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.129705 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -76.544
Base-Backbone interact. energy: -0.120
local terms energy: -87.218895
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. 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: -240.865946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.865946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.950253 (E_RNA)
where:
Base-Base interactions energy: -158.671
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.327
local terms energy: -81.952550
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -214.063180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.063180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.410178 (E_RNA)
where:
Base-Base interactions energy: -128.821
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.292
local terms energy: -85.297049
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -337.800323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.800323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.906540 (E_RNA)
where:
Base-Base interactions energy: -212.938
where: short stacking energy: -113.379
Base-Backbone interact. energy: -0.025
local terms energy: -124.943574
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -330.377360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.377360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.359934 (E_RNA)
where:
Base-Base interactions energy: -217.590
where: short stacking energy: -112.091
Base-Backbone interact. energy: -0.044
local terms energy: -114.725118
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -36.042
Dist. restrs. and SS energy: 1.983 (S_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: 42
Temperature: 1.000000
Total energy: -320.748506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.748506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.820586 (E_RNA)
where:
Base-Base interactions energy: -213.336
where: short stacking energy: -106.986
Base-Backbone interact. energy: 0.132
local terms energy: -107.616782
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -29.474
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. 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: -295.987612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.987612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.852137 (E_RNA)
where:
Base-Base interactions energy: -206.178
where: short stacking energy: -95.413
Base-Backbone interact. energy: -0.110
local terms energy: -91.563862
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -25.250
Dist. restrs. and SS energy: 1.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -268.009540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.009540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.218357 (E_RNA)
where:
Base-Base interactions energy: -167.524
where: short stacking energy: -88.295
Base-Backbone interact. energy: -0.147
local terms energy: -100.547337
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.209 (S_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: -263.980842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.980842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.017439 (E_RNA)
where:
Base-Base interactions energy: -169.123
where: short stacking energy: -73.674
Base-Backbone interact. energy: -0.348
local terms energy: -94.546861
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.037 (S_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: -238.962943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.962943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.014147 (E_RNA)
where:
Base-Base interactions energy: -145.978
where: short stacking energy: -73.936
Base-Backbone interact. energy: -0.014
local terms energy: -93.022596
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -244.507588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.507588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.630901 (E_RNA)
where:
Base-Base interactions energy: -154.717
where: short stacking energy: -81.064
Base-Backbone interact. energy: -0.200
local terms energy: -89.713863
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -239.303715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.303715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.505954 (E_RNA)
where:
Base-Base interactions energy: -156.057
where: short stacking energy: -83.860
Base-Backbone interact. energy: -0.066
local terms energy: -83.382999
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -254.372010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.372010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.518004 (E_RNA)
where:
Base-Base interactions energy: -159.136
where: short stacking energy: -72.392
Base-Backbone interact. energy: -0.148
local terms energy: -95.234114
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -348.658396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.658396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.708714 (E_RNA)
where:
Base-Base interactions energy: -225.829
where: short stacking energy: -109.651
Base-Backbone interact. energy: -0.204
local terms energy: -122.675519
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -333.442973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.442973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.153261 (E_RNA)
where:
Base-Base interactions energy: -222.422
where: short stacking energy: -110.027
Base-Backbone interact. energy: -0.016
local terms energy: -112.715147
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 1.710 (S_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: 43
Temperature: 1.000000
Total energy: -328.838614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.838614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.838614 (E_RNA)
where:
Base-Base interactions energy: -215.349
where: short stacking energy: -100.876
Base-Backbone interact. energy: -0.127
local terms energy: -113.362476
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -28.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -265.164539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.164539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.221471 (E_RNA)
where:
Base-Base interactions energy: -166.375
where: short stacking energy: -88.257
Base-Backbone interact. energy: -0.448
local terms energy: -98.398198
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. 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: -278.589345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.589345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.787143 (E_RNA)
where:
Base-Base interactions energy: -182.960
where: short stacking energy: -79.335
Base-Backbone interact. energy: -0.130
local terms energy: -95.697097
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.198 (S_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: 43
Temperature: 1.150000
Total energy: -245.021773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.021773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.040034 (E_RNA)
where:
Base-Base interactions energy: -157.004
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.249
local terms energy: -87.786877
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -256.565762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.565762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.807366 (E_RNA)
where:
Base-Base interactions energy: -166.944
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.473
local terms energy: -89.390737
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -239.956789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.956789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.039483 (E_RNA)
where:
Base-Base interactions energy: -149.479
where: short stacking energy: -65.220
Base-Backbone interact. energy: 1.003
local terms energy: -91.563526
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -230.257053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.257053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.511075 (E_RNA)
where:
Base-Base interactions energy: -141.234
where: short stacking energy: -76.492
Base-Backbone interact. energy: -0.197
local terms energy: -89.079902
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -218.533400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.533400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.666629 (E_RNA)
where:
Base-Base interactions energy: -135.116
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.015
local terms energy: -83.536239
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -348.434926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.434926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.434926 (E_RNA)
where:
Base-Base interactions energy: -229.113
where: short stacking energy: -115.928
Base-Backbone interact. energy: -0.121
local terms energy: -119.201225
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -36.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -326.821357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.821357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.983864 (E_RNA)
where:
Base-Base interactions energy: -218.815
where: short stacking energy: -109.676
Base-Backbone interact. energy: -0.022
local terms energy: -109.146513
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -32.082
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -276.086114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.086114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.086114 (E_RNA)
where:
Base-Base interactions energy: -175.715
where: short stacking energy: -94.866
Base-Backbone interact. energy: 0.556
local terms energy: -100.927530
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -305.837362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.837362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.860522 (E_RNA)
where:
Base-Base interactions energy: -211.042
where: short stacking energy: -82.319
Base-Backbone interact. energy: -0.204
local terms energy: -94.614361
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -278.516739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.516739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.556824 (E_RNA)
where:
Base-Base interactions energy: -184.437
where: short stacking energy: -83.015
Base-Backbone interact. energy: -0.728
local terms energy: -93.392310
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -292.197355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.197355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.581201 (E_RNA)
where:
Base-Base interactions energy: -194.331
where: short stacking energy: -87.240
Base-Backbone interact. energy: -0.159
local terms energy: -98.090962
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.384 (S_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: 44
Temperature: 1.200000
Total energy: -235.398742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.398742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.441447 (E_RNA)
where:
Base-Base interactions energy: -153.375
where: short stacking energy: -76.760
Base-Backbone interact. energy: -0.403
local terms energy: -81.663255
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -256.965827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.973635 (E_RNA)
where:
Base-Base interactions energy: -159.082
where: short stacking energy: -83.978
Base-Backbone interact. energy: -0.188
local terms energy: -97.703630
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. 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: -226.190871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.190871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.493009 (E_RNA)
where:
Base-Base interactions energy: -150.795
where: short stacking energy: -66.029
Base-Backbone interact. energy: 0.723
local terms energy: -76.420903
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -220.655944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.655944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.870057 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.371
local terms energy: -76.949529
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -347.497815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.497815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.509958 (E_RNA)
where:
Base-Base interactions energy: -227.877
where: short stacking energy: -114.548
Base-Backbone interact. energy: -0.008
local terms energy: -119.624769
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -36.897
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -320.621034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.621034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.507722 (E_RNA)
where:
Base-Base interactions energy: -211.456
where: short stacking energy: -105.098
Base-Backbone interact. energy: -0.104
local terms energy: -109.947229
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -31.826
Dist. restrs. and SS energy: 0.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -273.276653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.276653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.299603 (E_RNA)
where:
Base-Base interactions energy: -173.823
where: short stacking energy: -80.434
Base-Backbone interact. energy: -0.110
local terms energy: -99.367130
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -270.597765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.597765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.702582 (E_RNA)
where:
Base-Base interactions energy: -177.178
where: short stacking energy: -90.296
Base-Backbone interact. energy: -0.212
local terms energy: -93.312888
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.105 (S_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: 45
Temperature: 1.100000
Total energy: -281.240631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.240631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.293588 (E_RNA)
where:
Base-Base interactions energy: -175.223
where: short stacking energy: -86.535
Base-Backbone interact. energy: -0.167
local terms energy: -105.904539
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -30.059
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. 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: -286.704806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.704806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.704806 (E_RNA)
where:
Base-Base interactions energy: -189.742
where: short stacking energy: -86.617
Base-Backbone interact. energy: -0.236
local terms energy: -96.726421
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -242.919036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.919036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.102553 (E_RNA)
where:
Base-Base interactions energy: -164.082
where: short stacking energy: -73.646
Base-Backbone interact. energy: 0.276
local terms energy: -79.296548
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -238.137469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.137469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.150257 (E_RNA)
where:
Base-Base interactions energy: -160.696
where: short stacking energy: -78.475
Base-Backbone interact. energy: -0.226
local terms energy: -77.227974
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -235.965871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.965871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.009973 (E_RNA)
where:
Base-Base interactions energy: -151.716
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.098
local terms energy: -84.195653
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -224.516656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.516656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.785571 (E_RNA)
where:
Base-Base interactions energy: -161.291
where: short stacking energy: -75.398
Base-Backbone interact. energy: -0.167
local terms energy: -63.326727
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -337.596479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.596479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.875366 (E_RNA)
where:
Base-Base interactions energy: -221.674
where: short stacking energy: -114.626
Base-Backbone interact. energy: -0.096
local terms energy: -117.104610
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -35.314
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -339.151062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.151062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.151062 (E_RNA)
where:
Base-Base interactions energy: -227.755
where: short stacking energy: -118.447
Base-Backbone interact. energy: -0.014
local terms energy: -111.382131
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -31.987
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: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -276.208042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.208042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.353821 (E_RNA)
where:
Base-Base interactions energy: -171.890
where: short stacking energy: -83.248
Base-Backbone interact. energy: -1.159
local terms energy: -103.304475
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -269.670187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.670187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.700617 (E_RNA)
where:
Base-Base interactions energy: -174.359
where: short stacking energy: -93.435
Base-Backbone interact. energy: -0.079
local terms energy: -95.262229
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -271.626185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.626185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.178584 (E_RNA)
where:
Base-Base interactions energy: -179.675
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.121
local terms energy: -94.382843
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -257.404020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.404020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.423504 (E_RNA)
where:
Base-Base interactions energy: -162.621
where: short stacking energy: -75.006
Base-Backbone interact. energy: -0.533
local terms energy: -94.270472
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.019 (S_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: 46
Temperature: 1.200000
Total energy: -249.436427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.436427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.566565 (E_RNA)
where:
Base-Base interactions energy: -164.048
where: short stacking energy: -78.916
Base-Backbone interact. energy: -0.759
local terms energy: -84.759699
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -238.849763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.849763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.905401 (E_RNA)
where:
Base-Base interactions energy: -151.291
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.443
local terms energy: -87.171039
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -227.401423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.401423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.403626 (E_RNA)
where:
Base-Base interactions energy: -139.880
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.101
local terms energy: -87.422215
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -229.515134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.515134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.539291 (E_RNA)
where:
Base-Base interactions energy: -145.320
where: short stacking energy: -65.682
Base-Backbone interact. energy: 0.770
local terms energy: -84.989375
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -327.304526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.304526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.484713 (E_RNA)
where:
Base-Base interactions energy: -218.310
where: short stacking energy: -104.966
Base-Backbone interact. energy: -0.113
local terms energy: -110.061962
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -30.823
Dist. restrs. and SS energy: 1.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -332.333039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.333039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.482568 (E_RNA)
where:
Base-Base interactions energy: -219.662
where: short stacking energy: -104.047
Base-Backbone interact. energy: -0.116
local terms energy: -112.704247
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -282.918969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.918969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.019354 (E_RNA)
where:
Base-Base interactions energy: -177.706
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.717
local terms energy: -104.596325
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -289.740906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.740906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.756707 (E_RNA)
where:
Base-Base interactions energy: -198.581
where: short stacking energy: -89.201
Base-Backbone interact. energy: -0.046
local terms energy: -93.129374
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -290.134950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.134950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.164847 (E_RNA)
where:
Base-Base interactions energy: -186.772
where: short stacking energy: -93.583
Base-Backbone interact. energy: -0.058
local terms energy: -103.335793
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -243.739439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.739439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.764485 (E_RNA)
where:
Base-Base interactions energy: -152.974
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.688
local terms energy: -90.102842
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -276.866046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.866046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.866046 (E_RNA)
where:
Base-Base interactions energy: -185.985
where: short stacking energy: -85.216
Base-Backbone interact. energy: 0.338
local terms energy: -91.219539
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -224.722580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.722580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.766262 (E_RNA)
where:
Base-Base interactions energy: -149.120
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.211
local terms energy: -75.436209
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -232.044021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.044021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.166107 (E_RNA)
where:
Base-Base interactions energy: -140.390
where: short stacking energy: -70.799
Base-Backbone interact. energy: -0.620
local terms energy: -91.156309
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -226.768602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.768602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.820152 (E_RNA)
where:
Base-Base interactions energy: -146.258
where: short stacking energy: -76.709
Base-Backbone interact. energy: -0.105
local terms energy: -80.457152
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -337.612489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.612489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.612489 (E_RNA)
where:
Base-Base interactions energy: -229.175
where: short stacking energy: -107.205
Base-Backbone interact. energy: -0.010
local terms energy: -108.427509
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -17.032
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: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -332.036265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.036265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.045878 (E_RNA)
where:
Base-Base interactions energy: -224.983
where: short stacking energy: -96.182
Base-Backbone interact. energy: -0.728
local terms energy: -106.335444
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -293.057410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.057410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.883667 (E_RNA)
where:
Base-Base interactions energy: -191.646
where: short stacking energy: -83.520
Base-Backbone interact. energy: -0.173
local terms energy: -102.064858
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -300.359006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.359006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.385212 (E_RNA)
where:
Base-Base interactions energy: -197.119
where: short stacking energy: -89.644
Base-Backbone interact. energy: -0.094
local terms energy: -103.171506
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -280.212647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.289391 (E_RNA)
where:
Base-Base interactions energy: -177.001
where: short stacking energy: -79.257
Base-Backbone interact. energy: -0.133
local terms energy: -103.155406
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -240.378061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.378061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.494164 (E_RNA)
where:
Base-Base interactions energy: -150.253
where: short stacking energy: -70.109
Base-Backbone interact. energy: -0.215
local terms energy: -90.025557
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.116 (S_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: 48
Temperature: 1.200000
Total energy: -258.083019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.083019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.567149 (E_RNA)
where:
Base-Base interactions energy: -164.457
where: short stacking energy: -83.773
Base-Backbone interact. energy: -0.006
local terms energy: -94.104007
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -272.992676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.992676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.895664 (E_RNA)
where:
Base-Base interactions energy: -181.654
where: short stacking energy: -85.874
Base-Backbone interact. energy: -0.045
local terms energy: -92.196253
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -240.156095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.156095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.171626 (E_RNA)
where:
Base-Base interactions energy: -155.897
where: short stacking energy: -82.334
Base-Backbone interact. energy: -0.115
local terms energy: -84.158896
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -229.925090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.925090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107832 (E_RNA)
where:
Base-Base interactions energy: -153.657
where: short stacking energy: -84.572
Base-Backbone interact. energy: -0.038
local terms energy: -76.413012
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -347.368097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.368097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.492024 (E_RNA)
where:
Base-Base interactions energy: -226.185
where: short stacking energy: -108.042
Base-Backbone interact. energy: -0.283
local terms energy: -121.023417
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -335.363624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.363624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.368558 (E_RNA)
where:
Base-Base interactions energy: -225.795
where: short stacking energy: -99.247
Base-Backbone interact. energy: -0.199
local terms energy: -109.373952
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -308.293948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.293948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.300328 (E_RNA)
where:
Base-Base interactions energy: -202.053
where: short stacking energy: -90.171
Base-Backbone interact. energy: -0.340
local terms energy: -105.908096
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -305.618661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.618661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.479862 (E_RNA)
where:
Base-Base interactions energy: -207.665
where: short stacking energy: -86.308
Base-Backbone interact. energy: -0.179
local terms energy: -98.636154
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -278.807649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.807649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.871095 (E_RNA)
where:
Base-Base interactions energy: -190.666
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.424
local terms energy: -87.781511
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.063 (S_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: 49
Temperature: 1.150000
Total energy: -257.581908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.581908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.828639 (E_RNA)
where:
Base-Base interactions energy: -158.730
where: short stacking energy: -82.165
Base-Backbone interact. energy: -0.259
local terms energy: -98.838855
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.247 (S_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: 49
Temperature: 1.200000
Total energy: -236.036136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.036136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.140052 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -66.682
Base-Backbone interact. energy: 1.102
local terms energy: -98.323175
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -234.106893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.106893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.195286 (E_RNA)
where:
Base-Base interactions energy: -153.343
where: short stacking energy: -84.241
Base-Backbone interact. energy: 0.921
local terms energy: -81.773226
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -234.873343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.873343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.968627 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -69.119
Base-Backbone interact. energy: -0.364
local terms energy: -82.673973
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -218.707820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.707820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.737719 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -53.389
Base-Backbone interact. energy: -0.123
local terms energy: -80.187021
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -347.623319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.623319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.747757 (E_RNA)
where:
Base-Base interactions energy: -229.320
where: short stacking energy: -104.177
Base-Backbone interact. energy: -0.654
local terms energy: -117.773147
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -27.411
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -338.602919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.602919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.805717 (E_RNA)
where:
Base-Base interactions energy: -231.522
where: short stacking energy: -99.713
Base-Backbone interact. energy: -0.141
local terms energy: -107.142745
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -31.292
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -313.041612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.041612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.071520 (E_RNA)
where:
Base-Base interactions energy: -205.851
where: short stacking energy: -96.120
Base-Backbone interact. energy: -0.025
local terms energy: -107.195217
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -315.395170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.395170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.446542 (E_RNA)
where:
Base-Base interactions energy: -221.388
where: short stacking energy: -91.638
Base-Backbone interact. energy: -0.120
local terms energy: -93.938893
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -22.628
Dist. restrs. and SS energy: 0.051 (S_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: 50
Temperature: 1.100000
Total energy: -263.367482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.367482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.468387 (E_RNA)
where:
Base-Base interactions energy: -171.028
where: short stacking energy: -89.457
Base-Backbone interact. energy: -0.237
local terms energy: -92.203339
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -248.588432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.588432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.588432 (E_RNA)
where:
Base-Base interactions energy: -159.806
where: short stacking energy: -75.998
Base-Backbone interact. energy: 0.601
local terms energy: -89.383072
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -15.249
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: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -259.463699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.463699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.625986 (E_RNA)
where:
Base-Base interactions energy: -165.056
where: short stacking energy: -82.646
Base-Backbone interact. energy: -0.458
local terms energy: -94.112208
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -24.190
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -235.814237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.814237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.814237 (E_RNA)
where:
Base-Base interactions energy: -155.543
where: short stacking energy: -73.710
Base-Backbone interact. energy: 0.254
local terms energy: -80.524651
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -230.523801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.523801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.561235 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.055
local terms energy: -81.617799
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -223.512190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.512190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.512190 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -70.723
Base-Backbone interact. energy: -0.013
local terms energy: -76.965427
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -14.013
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: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -335.570195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.570195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.791877 (E_RNA)
where:
Base-Base interactions energy: -226.028
where: short stacking energy: -110.912
Base-Backbone interact. energy: 0.178
local terms energy: -109.942042
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -32.019
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -339.422416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.422416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.537603 (E_RNA)
where:
Base-Base interactions energy: -225.739
where: short stacking energy: -110.224
Base-Backbone interact. energy: -0.246
local terms energy: -113.553309
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -324.059326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.059326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.089397 (E_RNA)
where:
Base-Base interactions energy: -212.338
where: short stacking energy: -101.424
Base-Backbone interact. energy: -0.016
local terms energy: -111.735142
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -28.496
Dist. restrs. and SS energy: 0.030 (S_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: 51
Temperature: 1.050000
Total energy: -282.648978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.648978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.799649 (E_RNA)
where:
Base-Base interactions energy: -194.238
where: short stacking energy: -85.532
Base-Backbone interact. energy: 0.252
local terms energy: -88.812791
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -304.149951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.149951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.777884 (E_RNA)
where:
Base-Base interactions energy: -203.250
where: short stacking energy: -100.622
Base-Backbone interact. energy: -0.083
local terms energy: -101.445492
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -256.657003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.657003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.738902 (E_RNA)
where:
Base-Base interactions energy: -172.079
where: short stacking energy: -84.321
Base-Backbone interact. energy: -0.346
local terms energy: -84.313907
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -245.540256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.540256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.589335 (E_RNA)
where:
Base-Base interactions energy: -150.801
where: short stacking energy: -78.398
Base-Backbone interact. energy: -1.045
local terms energy: -93.743377
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -256.716353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.716353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.006974 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -83.654
Base-Backbone interact. energy: -0.350
local terms energy: -101.376127
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -237.745649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.745649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.845799 (E_RNA)
where:
Base-Base interactions energy: -154.279
where: short stacking energy: -81.114
Base-Backbone interact. energy: -0.025
local terms energy: -83.541813
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -213.223633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.223633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.446874 (E_RNA)
where:
Base-Base interactions energy: -133.412
where: short stacking energy: -58.491
Base-Backbone interact. energy: 0.013
local terms energy: -80.047801
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -327.714644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.714644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.722540 (E_RNA)
where:
Base-Base interactions energy: -223.383
where: short stacking energy: -98.574
Base-Backbone interact. energy: -1.011
local terms energy: -103.328612
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -329.655322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.655322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.757069 (E_RNA)
where:
Base-Base interactions energy: -217.020
where: short stacking energy: -105.443
Base-Backbone interact. energy: -0.256
local terms energy: -112.480533
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -31.625
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -332.394991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.394991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.394991 (E_RNA)
where:
Base-Base interactions energy: -217.392
where: short stacking energy: -111.009
Base-Backbone interact. energy: 0.554
local terms energy: -115.556581
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -32.251
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -296.572108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.572108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.577138 (E_RNA)
where:
Base-Base interactions energy: -191.705
where: short stacking energy: -92.867
Base-Backbone interact. energy: -0.128
local terms energy: -104.743813
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -307.118341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.118341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.122226 (E_RNA)
where:
Base-Base interactions energy: -208.045
where: short stacking energy: -98.184
Base-Backbone interact. energy: -0.640
local terms energy: -98.437474
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -29.158
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -251.914615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.914615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.957034 (E_RNA)
where:
Base-Base interactions energy: -169.530
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.695
local terms energy: -81.732677
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -250.884812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.884812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.062669 (E_RNA)
where:
Base-Base interactions energy: -154.839
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.180
local terms energy: -96.044221
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -247.846715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.846715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.854356 (E_RNA)
where:
Base-Base interactions energy: -152.909
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.354
local terms energy: -94.591783
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -222.223547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.223547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.223547 (E_RNA)
where:
Base-Base interactions energy: -148.938
where: short stacking energy: -73.113
Base-Backbone interact. energy: -0.418
local terms energy: -72.867353
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -20.339
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: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -218.279722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.279722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.291115 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -68.077
Base-Backbone interact. energy: 0.470
local terms energy: -80.644467
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -337.637037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.637037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.012607 (E_RNA)
where:
Base-Base interactions energy: -234.776
where: short stacking energy: -101.765
Base-Backbone interact. energy: -0.303
local terms energy: -102.933910
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -331.774728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.774728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.878773 (E_RNA)
where:
Base-Base interactions energy: -224.080
where: short stacking energy: -109.693
Base-Backbone interact. energy: -0.110
local terms energy: -107.688851
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -31.584
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -329.101013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.101013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.311014 (E_RNA)
where:
Base-Base interactions energy: -219.007
where: short stacking energy: -97.752
Base-Backbone interact. energy: -0.113
local terms energy: -110.191720
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -28.884
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -311.157743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.157743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.351735 (E_RNA)
where:
Base-Base interactions energy: -206.414
where: short stacking energy: -96.057
Base-Backbone interact. energy: -0.020
local terms energy: -104.917784
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.194 (S_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: 53
Temperature: 1.100000
Total energy: -293.088087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.088087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.154565 (E_RNA)
where:
Base-Base interactions energy: -192.994
where: short stacking energy: -84.458
Base-Backbone interact. energy: -0.066
local terms energy: -100.094962
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -26.832
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -252.585827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.585827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.685636 (E_RNA)
where:
Base-Base interactions energy: -162.161
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.214
local terms energy: -90.310775
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -257.383682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.383682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.439070 (E_RNA)
where:
Base-Base interactions energy: -164.839
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.583
local terms energy: -92.017613
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -232.167652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.167652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.255191 (E_RNA)
where:
Base-Base interactions energy: -147.270
where: short stacking energy: -67.573
Base-Backbone interact. energy: 1.526
local terms energy: -86.510252
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.088 (S_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: 53
Temperature: 1.300000
Total energy: -230.706948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.706948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.706948 (E_RNA)
where:
Base-Base interactions energy: -147.129
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.316
local terms energy: -83.262508
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -18.142
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: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -229.340996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.340996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.391981 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -65.040
Base-Backbone interact. energy: -0.279
local terms energy: -74.456738
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -339.442336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.442336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.702037 (E_RNA)
where:
Base-Base interactions energy: -229.022
where: short stacking energy: -92.561
Base-Backbone interact. energy: -0.333
local terms energy: -110.346127
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -335.749677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.749677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.832305 (E_RNA)
where:
Base-Base interactions energy: -225.886
where: short stacking energy: -114.207
Base-Backbone interact. energy: -0.100
local terms energy: -109.846469
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -30.629
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -326.119387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.119387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.165989 (E_RNA)
where:
Base-Base interactions energy: -215.160
where: short stacking energy: -100.058
Base-Backbone interact. energy: -0.550
local terms energy: -110.455316
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -324.417645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.417645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.484246 (E_RNA)
where:
Base-Base interactions energy: -219.538
where: short stacking energy: -96.303
Base-Backbone interact. energy: -0.003
local terms energy: -104.942670
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -27.540
Dist. restrs. and SS energy: 0.067 (S_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: 54
Temperature: 1.100000
Total energy: -314.057625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.057625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.157369 (E_RNA)
where:
Base-Base interactions energy: -205.106
where: short stacking energy: -93.499
Base-Backbone interact. energy: -0.096
local terms energy: -108.955606
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.100 (S_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: 54
Temperature: 1.150000
Total energy: -256.478771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.478771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.560847 (E_RNA)
where:
Base-Base interactions energy: -156.249
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.041
local terms energy: -100.270852
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -240.485435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.485435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.501548 (E_RNA)
where:
Base-Base interactions energy: -150.527
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.134
local terms energy: -89.840794
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -242.650085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.650085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.650085 (E_RNA)
where:
Base-Base interactions energy: -158.922
where: short stacking energy: -86.803
Base-Backbone interact. energy: -0.070
local terms energy: -83.657515
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -16.941
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -228.430351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.430351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.619978 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -68.339
Base-Backbone interact. energy: -0.328
local terms energy: -83.450192
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.190 (S_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: 54
Temperature: 1.350000
Total energy: -238.919009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.919009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.925688 (E_RNA)
where:
Base-Base interactions energy: -165.348
where: short stacking energy: -83.261
Base-Backbone interact. energy: -0.080
local terms energy: -73.497971
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -342.093287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.093287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.226771 (E_RNA)
where:
Base-Base interactions energy: -234.428
where: short stacking energy: -98.721
Base-Backbone interact. energy: -0.183
local terms energy: -107.616118
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -327.975375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.975375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.027967 (E_RNA)
where:
Base-Base interactions energy: -216.651
where: short stacking energy: -108.608
Base-Backbone interact. energy: -0.158
local terms energy: -111.218950
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -322.005769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.005769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.064824 (E_RNA)
where:
Base-Base interactions energy: -223.819
where: short stacking energy: -97.656
Base-Backbone interact. energy: -0.129
local terms energy: -98.116648
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.059 (S_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: 55
Temperature: 1.050000
Total energy: -302.137870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.137870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.832990 (E_RNA)
where:
Base-Base interactions energy: -203.734
where: short stacking energy: -86.803
Base-Backbone interact. energy: -0.196
local terms energy: -98.902700
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -306.967776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.967776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.093148 (E_RNA)
where:
Base-Base interactions energy: -214.641
where: short stacking energy: -99.309
Base-Backbone interact. energy: -0.182
local terms energy: -92.270215
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -250.760646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.760646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.780960 (E_RNA)
where:
Base-Base interactions energy: -163.032
where: short stacking energy: -81.034
Base-Backbone interact. energy: -0.331
local terms energy: -87.417262
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -257.070151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.070151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.135461 (E_RNA)
where:
Base-Base interactions energy: -155.150
where: short stacking energy: -78.108
Base-Backbone interact. energy: -0.212
local terms energy: -101.774019
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -227.626442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.626442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.650510 (E_RNA)
where:
Base-Base interactions energy: -143.396
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.302
local terms energy: -83.953489
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -235.419848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.419848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.747839 (E_RNA)
where:
Base-Base interactions energy: -143.378
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.110
local terms energy: -92.259279
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.328 (S_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: 55
Temperature: 1.350000
Total energy: -228.446195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.446195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.072352 (E_RNA)
where:
Base-Base interactions energy: -145.517
where: short stacking energy: -76.855
Base-Backbone interact. energy: -0.415
local terms energy: -83.140529
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -326.801152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.801152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.889030 (E_RNA)
where:
Base-Base interactions energy: -226.270
where: short stacking energy: -100.984
Base-Backbone interact. energy: 2.512
local terms energy: -103.130559
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -332.994740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.994740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.026048 (E_RNA)
where:
Base-Base interactions energy: -223.141
where: short stacking energy: -96.113
Base-Backbone interact. energy: -0.428
local terms energy: -109.456599
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -329.403010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.403010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.420208 (E_RNA)
where:
Base-Base interactions energy: -219.642
where: short stacking energy: -101.088
Base-Backbone interact. energy: -0.212
local terms energy: -109.565737
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.017 (S_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: 56
Temperature: 1.050000
Total energy: -259.134035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.134035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.243006 (E_RNA)
where:
Base-Base interactions energy: -164.262
where: short stacking energy: -73.129
Base-Backbone interact. energy: 2.351
local terms energy: -97.332039
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.109 (S_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: 56
Temperature: 1.100000
Total energy: -259.643431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.643431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.643431 (E_RNA)
where:
Base-Base interactions energy: -165.013
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.039
local terms energy: -94.591907
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -22.611
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: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -266.472720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.472720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.512395 (E_RNA)
where:
Base-Base interactions energy: -173.429
where: short stacking energy: -84.325
Base-Backbone interact. energy: -0.525
local terms energy: -92.558594
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.040 (S_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: 56
Temperature: 1.200000
Total energy: -237.803054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.803054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.803214 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.131
local terms energy: -89.826170
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -242.423540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.423540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.431219 (E_RNA)
where:
Base-Base interactions energy: -153.374
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.360
local terms energy: -88.697220
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.008 (S_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: 56
Temperature: 1.300000
Total energy: -226.405719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.405719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.923826 (E_RNA)
where:
Base-Base interactions energy: -144.438
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.806
local terms energy: -81.680034
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -216.263418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.263418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.423394 (E_RNA)
where:
Base-Base interactions energy: -140.793
where: short stacking energy: -70.414
Base-Backbone interact. energy: 0.730
local terms energy: -76.360550
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -332.798836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.798836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.932417 (E_RNA)
where:
Base-Base interactions energy: -217.086
where: short stacking energy: -107.507
Base-Backbone interact. energy: -0.207
local terms energy: -115.639549
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -331.643104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.643104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.652860 (E_RNA)
where:
Base-Base interactions energy: -221.584
where: short stacking energy: -96.538
Base-Backbone interact. energy: -0.149
local terms energy: -109.919368
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -33.038
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -332.476956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.476956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.503952 (E_RNA)
where:
Base-Base interactions energy: -213.678
where: short stacking energy: -101.739
Base-Backbone interact. energy: -1.638
local terms energy: -117.187624
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.027 (S_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: 57
Temperature: 1.050000
Total energy: -269.521532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.521532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.521532 (E_RNA)
where:
Base-Base interactions energy: -171.232
where: short stacking energy: -76.034
Base-Backbone interact. energy: -0.096
local terms energy: -98.194161
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -255.029071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.029071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.056310 (E_RNA)
where:
Base-Base interactions energy: -155.251
where: short stacking energy: -79.202
Base-Backbone interact. energy: 0.321
local terms energy: -100.125876
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.027 (S_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: 57
Temperature: 1.150000
Total energy: -248.712249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.712249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.802415 (E_RNA)
where:
Base-Base interactions energy: -151.698
where: short stacking energy: -78.910
Base-Backbone interact. energy: -0.131
local terms energy: -96.973775
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -23.150
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -283.008455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.008455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.008455 (E_RNA)
where:
Base-Base interactions energy: -187.571
where: short stacking energy: -91.116
Base-Backbone interact. energy: -1.061
local terms energy: -94.377080
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -248.540937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.540937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.617260 (E_RNA)
where:
Base-Base interactions energy: -154.852
where: short stacking energy: -79.949
Base-Backbone interact. energy: 0.073
local terms energy: -93.838438
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.076 (S_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: 57
Temperature: 1.300000
Total energy: -194.085392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.085392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.243594 (E_RNA)
where:
Base-Base interactions energy: -120.719
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.142
local terms energy: -73.382475
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -201.771558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.771558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.115426 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -55.892
Base-Backbone interact. energy: -2.704
local terms energy: -75.010777
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.344 (S_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: 58
Temperature: 0.900000
Total energy: -347.285952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.285952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.285952 (E_RNA)
where:
Base-Base interactions energy: -232.317
where: short stacking energy: -106.074
Base-Backbone interact. energy: -0.106
local terms energy: -114.862922
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -32.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -324.820717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.820717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.820717 (E_RNA)
where:
Base-Base interactions energy: -213.828
where: short stacking energy: -100.778
Base-Backbone interact. energy: -0.229
local terms energy: -110.763292
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -31.404
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: 58
Temperature: 1.000000
Total energy: -292.593325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.593325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.608398 (E_RNA)
where:
Base-Base interactions energy: -189.484
where: short stacking energy: -93.226
Base-Backbone interact. energy: 0.327
local terms energy: -103.451463
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -312.357433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.357433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.436952 (E_RNA)
where:
Base-Base interactions energy: -201.465
where: short stacking energy: -95.510
Base-Backbone interact. energy: -0.075
local terms energy: -110.896884
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -262.871557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.871557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.883575 (E_RNA)
where:
Base-Base interactions energy: -165.733
where: short stacking energy: -80.966
Base-Backbone interact. energy: -0.679
local terms energy: -96.472004
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -259.073241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.073241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.158156 (E_RNA)
where:
Base-Base interactions energy: -166.288
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.422
local terms energy: -92.447944
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -267.883157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.883157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.884838 (E_RNA)
where:
Base-Base interactions energy: -172.781
where: short stacking energy: -86.720
Base-Backbone interact. energy: -0.207
local terms energy: -94.896855
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -254.400050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.400050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.691614 (E_RNA)
where:
Base-Base interactions energy: -161.928
where: short stacking energy: -85.835
Base-Backbone interact. energy: -0.025
local terms energy: -92.738639
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -204.238794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.238794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.292226 (E_RNA)
where:
Base-Base interactions energy: -129.503
where: short stacking energy: -59.069
Base-Backbone interact. energy: -0.234
local terms energy: -74.554481
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.053 (S_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: 58
Temperature: 1.350000
Total energy: -203.878857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.878857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.945310 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -58.313
Base-Backbone interact. energy: -0.107
local terms energy: -79.439080
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.066 (S_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: 59
Temperature: 0.900000
Total energy: -336.889505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.889505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.999626 (E_RNA)
where:
Base-Base interactions energy: -220.596
where: short stacking energy: -109.752
Base-Backbone interact. energy: -0.474
local terms energy: -115.929747
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -31.816
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -329.500382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.500382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.579413 (E_RNA)
where:
Base-Base interactions energy: -226.562
where: short stacking energy: -107.650
Base-Backbone interact. energy: -0.072
local terms energy: -102.945199
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.079 (S_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: 59
Temperature: 1.000000
Total energy: -297.924561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.924561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.986472 (E_RNA)
where:
Base-Base interactions energy: -194.315
where: short stacking energy: -85.133
Base-Backbone interact. energy: 0.886
local terms energy: -104.557797
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -316.257432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.257432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.257432 (E_RNA)
where:
Base-Base interactions energy: -209.927
where: short stacking energy: -94.268
Base-Backbone interact. energy: -0.005
local terms energy: -106.325686
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -254.883442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.883442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.076090 (E_RNA)
where:
Base-Base interactions energy: -159.672
where: short stacking energy: -76.020
Base-Backbone interact. energy: -0.247
local terms energy: -95.156856
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -268.901843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.901843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.022677 (E_RNA)
where:
Base-Base interactions energy: -174.749
where: short stacking energy: -82.546
Base-Backbone interact. energy: 0.016
local terms energy: -94.289217
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.121 (S_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: 59
Temperature: 1.200000
Total energy: -260.291410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.291410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.291410 (E_RNA)
where:
Base-Base interactions energy: -166.712
where: short stacking energy: -89.925
Base-Backbone interact. energy: -0.245
local terms energy: -93.334954
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -237.472045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.472045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.593418 (E_RNA)
where:
Base-Base interactions energy: -148.384
where: short stacking energy: -79.522
Base-Backbone interact. energy: 0.713
local terms energy: -89.922452
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -216.361600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.361600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.361600 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.236
local terms energy: -76.830085
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -225.918676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.918676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.945925 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -64.698
Base-Backbone interact. energy: 1.766
local terms energy: -82.092997
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -344.941555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.941555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.951372 (E_RNA)
where:
Base-Base interactions energy: -228.661
where: short stacking energy: -113.232
Base-Backbone interact. energy: -0.522
local terms energy: -115.768170
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -34.167
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -328.355527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.355527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.382674 (E_RNA)
where:
Base-Base interactions energy: -219.177
where: short stacking energy: -100.975
Base-Backbone interact. energy: -0.002
local terms energy: -109.203803
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -30.066
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -316.301703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.301703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.794637 (E_RNA)
where:
Base-Base interactions energy: -205.619
where: short stacking energy: -97.278
Base-Backbone interact. energy: -0.287
local terms energy: -110.888787
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -30.111
Dist. restrs. and SS energy: 0.493 (S_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: 60
Temperature: 1.050000
Total energy: -281.804479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.804479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.837649 (E_RNA)
where:
Base-Base interactions energy: -183.908
where: short stacking energy: -79.528
Base-Backbone interact. energy: -0.358
local terms energy: -97.572030
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -298.561676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.561676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.561676 (E_RNA)
where:
Base-Base interactions energy: -195.543
where: short stacking energy: -93.034
Base-Backbone interact. energy: -0.301
local terms energy: -102.717794
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -254.037268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.037268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.247177 (E_RNA)
where:
Base-Base interactions energy: -164.121
where: short stacking energy: -86.278
Base-Backbone interact. energy: -0.008
local terms energy: -90.117795
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -257.784012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.784012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.893877 (E_RNA)
where:
Base-Base interactions energy: -174.187
where: short stacking energy: -82.183
Base-Backbone interact. energy: -0.657
local terms energy: -83.050144
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -260.243150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.243150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.473329 (E_RNA)
where:
Base-Base interactions energy: -181.125
where: short stacking energy: -72.249
Base-Backbone interact. energy: -0.751
local terms energy: -78.597524
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -227.611469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.611469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.740791 (E_RNA)
where:
Base-Base interactions energy: -150.543
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.276
local terms energy: -76.922168
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.129 (S_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: 60
Temperature: 1.350000
Total energy: -217.846820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.846820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.032276 (E_RNA)
where:
Base-Base interactions energy: -141.610
where: short stacking energy: -57.978
Base-Backbone interact. energy: -0.415
local terms energy: -76.007635
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -348.004873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.004873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.025205 (E_RNA)
where:
Base-Base interactions energy: -231.414
where: short stacking energy: -114.422
Base-Backbone interact. energy: -0.148
local terms energy: -116.463426
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -327.026611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.026611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.035900 (E_RNA)
where:
Base-Base interactions energy: -211.856
where: short stacking energy: -103.628
Base-Backbone interact. energy: 0.862
local terms energy: -116.040956
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -31.800
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -326.637574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.637574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.642010 (E_RNA)
where:
Base-Base interactions energy: -214.629
where: short stacking energy: -95.838
Base-Backbone interact. energy: -0.108
local terms energy: -111.904886
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -29.372
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. 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: -310.924134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.924134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.982376 (E_RNA)
where:
Base-Base interactions energy: -210.363
where: short stacking energy: -101.193
Base-Backbone interact. energy: -0.018
local terms energy: -100.601094
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -27.751
Dist. restrs. and SS energy: 0.058 (S_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: 61
Temperature: 1.100000
Total energy: -262.931377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.931377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.012945 (E_RNA)
where:
Base-Base interactions energy: -178.015
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.316
local terms energy: -84.682106
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.082 (S_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: 61
Temperature: 1.150000
Total energy: -267.172132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.172132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.372475 (E_RNA)
where:
Base-Base interactions energy: -179.407
where: short stacking energy: -84.795
Base-Backbone interact. energy: -0.201
local terms energy: -87.765055
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.200 (S_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: 61
Temperature: 1.200000
Total energy: -260.179718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.179718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.466405 (E_RNA)
where:
Base-Base interactions energy: -169.644
where: short stacking energy: -91.165
Base-Backbone interact. energy: -0.698
local terms energy: -90.124361
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -237.009816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.009816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.218471 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.435
local terms energy: -81.524953
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -228.773113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.773113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.999558 (E_RNA)
where:
Base-Base interactions energy: -148.169
where: short stacking energy: -76.086
Base-Backbone interact. energy: -0.004
local terms energy: -80.827038
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.226 (S_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: 61
Temperature: 1.350000
Total energy: -216.267739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.267739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.442227 (E_RNA)
where:
Base-Base interactions energy: -129.829
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.141
local terms energy: -86.472517
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -337.378860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.378860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.455356 (E_RNA)
where:
Base-Base interactions energy: -218.145
where: short stacking energy: -103.797
Base-Backbone interact. energy: -0.276
local terms energy: -119.034123
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -29.080
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -332.230426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.230426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.230426 (E_RNA)
where:
Base-Base interactions energy: -223.116
where: short stacking energy: -94.396
Base-Backbone interact. energy: -0.078
local terms energy: -109.036764
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -26.889
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: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -324.653413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.653413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.708193 (E_RNA)
where:
Base-Base interactions energy: -212.184
where: short stacking energy: -101.586
Base-Backbone interact. energy: -0.044
local terms energy: -112.480258
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -30.692
Dist. restrs. and SS energy: 0.055 (S_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: 62
Temperature: 1.050000
Total energy: -323.150493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.150493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.184188 (E_RNA)
where:
Base-Base interactions energy: -211.703
where: short stacking energy: -98.367
Base-Backbone interact. energy: -0.214
local terms energy: -111.266256
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -30.013
Dist. restrs. and SS energy: 0.034 (S_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: 62
Temperature: 1.100000
Total energy: -265.345161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.345161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.407119 (E_RNA)
where:
Base-Base interactions energy: -171.403
where: short stacking energy: -82.003
Base-Backbone interact. energy: -0.797
local terms energy: -93.206168
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. 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: -250.901058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.901058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.000269 (E_RNA)
where:
Base-Base interactions energy: -169.342
where: short stacking energy: -81.224
Base-Backbone interact. energy: -0.275
local terms energy: -81.384030
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.099 (S_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: 62
Temperature: 1.200000
Total energy: -244.132799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.132799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.548622 (E_RNA)
where:
Base-Base interactions energy: -159.999
where: short stacking energy: -75.474
Base-Backbone interact. energy: -0.195
local terms energy: -84.355141
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -238.035608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.035608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.093330 (E_RNA)
where:
Base-Base interactions energy: -156.687
where: short stacking energy: -85.515
Base-Backbone interact. energy: -0.126
local terms energy: -81.280582
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -231.565469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.565469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.596965 (E_RNA)
where:
Base-Base interactions energy: -146.579
where: short stacking energy: -74.760
Base-Backbone interact. energy: -0.025
local terms energy: -84.993401
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.031 (S_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: 62
Temperature: 1.350000
Total energy: -204.072765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.072765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095158 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.324
local terms energy: -79.895479
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -344.599512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.599512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.706090 (E_RNA)
where:
Base-Base interactions energy: -234.631
where: short stacking energy: -116.959
Base-Backbone interact. energy: -0.109
local terms energy: -109.966178
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -32.458
Dist. restrs. and SS energy: 0.107 (S_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: 63
Temperature: 0.950000
Total energy: -330.771243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.771243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.788873 (E_RNA)
where:
Base-Base interactions energy: -219.118
where: short stacking energy: -104.476
Base-Backbone interact. energy: -0.050
local terms energy: -111.620709
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -329.700225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.700225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.727885 (E_RNA)
where:
Base-Base interactions energy: -221.809
where: short stacking energy: -101.113
Base-Backbone interact. energy: -0.269
local terms energy: -107.650327
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: 0.028 (S_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: 63
Temperature: 1.050000
Total energy: -319.062360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.062360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.062360 (E_RNA)
where:
Base-Base interactions energy: -216.947
where: short stacking energy: -99.978
Base-Backbone interact. energy: -0.135
local terms energy: -101.980160
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -26.582
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -263.827192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.827192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.913485 (E_RNA)
where:
Base-Base interactions energy: -159.613
where: short stacking energy: -80.041
Base-Backbone interact. energy: -0.062
local terms energy: -104.237822
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: 0.086 (S_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: 63
Temperature: 1.150000
Total energy: -244.889955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.889955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.889955 (E_RNA)
where:
Base-Base interactions energy: -144.023
where: short stacking energy: -72.975
Base-Backbone interact. energy: -0.349
local terms energy: -100.518005
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -244.541271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.541271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.618968 (E_RNA)
where:
Base-Base interactions energy: -162.884
where: short stacking energy: -85.211
Base-Backbone interact. energy: 0.409
local terms energy: -82.144088
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -236.545750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.545750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.776088 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -72.675
Base-Backbone interact. energy: -0.322
local terms energy: -87.583233
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -241.740209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.740209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.848791 (E_RNA)
where:
Base-Base interactions energy: -163.701
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.499
local terms energy: -77.648509
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.109 (S_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: 63
Temperature: 1.350000
Total energy: -219.689485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.689485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.788366 (E_RNA)
where:
Base-Base interactions energy: -140.380
where: short stacking energy: -61.687
Base-Backbone interact. energy: 0.204
local terms energy: -79.612486
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.099 (S_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: 64
Temperature: 0.900000
Total energy: -348.784609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.784609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.881287 (E_RNA)
where:
Base-Base interactions energy: -234.090
where: short stacking energy: -115.016
Base-Backbone interact. energy: -0.100
local terms energy: -114.691650
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -331.049950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.049950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.049950 (E_RNA)
where:
Base-Base interactions energy: -206.336
where: short stacking energy: -100.085
Base-Backbone interact. energy: -0.099
local terms energy: -124.614972
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -33.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -323.573763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.573763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.625115 (E_RNA)
where:
Base-Base interactions energy: -211.656
where: short stacking energy: -103.314
Base-Backbone interact. energy: -0.445
local terms energy: -111.524351
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.051 (S_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: 64
Temperature: 1.050000
Total energy: -325.421476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.421476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.468544 (E_RNA)
where:
Base-Base interactions energy: -213.552
where: short stacking energy: -104.428
Base-Backbone interact. energy: -0.179
local terms energy: -111.737427
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -29.818
Dist. restrs. and SS energy: 0.047 (S_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: 64
Temperature: 1.100000
Total energy: -263.392346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.392346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.456338 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -85.896
Base-Backbone interact. energy: -0.053
local terms energy: -101.956298
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 0.064 (S_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: 64
Temperature: 1.150000
Total energy: -258.699232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.699232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.761233 (E_RNA)
where:
Base-Base interactions energy: -164.598
where: short stacking energy: -80.791
Base-Backbone interact. energy: -0.755
local terms energy: -93.407630
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. 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: -242.848750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.848750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.848750 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.255
local terms energy: -89.771161
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.540
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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -246.128494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.128494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.133101 (E_RNA)
where:
Base-Base interactions energy: -154.737
where: short stacking energy: -75.251
Base-Backbone interact. energy: -0.083
local terms energy: -91.312692
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.005 (S_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: 64
Temperature: 1.300000
Total energy: -214.993608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.074801 (E_RNA)
where:
Base-Base interactions energy: -140.323
where: short stacking energy: -49.214
Base-Backbone interact. energy: -0.384
local terms energy: -74.368064
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -210.394148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.699406 (E_RNA)
where:
Base-Base interactions energy: -128.452
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.367
local terms energy: -81.879753
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.305 (S_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: 65
Temperature: 0.900000
Total energy: -344.552129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.552129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.552129 (E_RNA)
where:
Base-Base interactions energy: -229.086
where: short stacking energy: -102.089
Base-Backbone interact. energy: -0.202
local terms energy: -115.264597
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -32.765
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -325.286188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.286188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.286188 (E_RNA)
where:
Base-Base interactions energy: -219.665
where: short stacking energy: -103.488
Base-Backbone interact. energy: -0.201
local terms energy: -105.420161
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -27.329
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: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -317.810170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.810170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.810170 (E_RNA)
where:
Base-Base interactions energy: -208.896
where: short stacking energy: -100.994
Base-Backbone interact. energy: -0.013
local terms energy: -108.901589
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -30.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -320.110679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.110679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.645934 (E_RNA)
where:
Base-Base interactions energy: -208.921
where: short stacking energy: -101.392
Base-Backbone interact. energy: -0.040
local terms energy: -111.685007
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.535 (S_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: 65
Temperature: 1.100000
Total energy: -289.461787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.461787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.486002 (E_RNA)
where:
Base-Base interactions energy: -192.058
where: short stacking energy: -90.782
Base-Backbone interact. energy: 1.467
local terms energy: -98.894782
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.024 (S_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: 65
Temperature: 1.150000
Total energy: -260.190380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.190380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.304689 (E_RNA)
where:
Base-Base interactions energy: -166.120
where: short stacking energy: -78.213
Base-Backbone interact. energy: -0.938
local terms energy: -93.246239
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -272.650491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.650491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.712182 (E_RNA)
where:
Base-Base interactions energy: -170.600
where: short stacking energy: -82.465
Base-Backbone interact. energy: -0.186
local terms energy: -101.926395
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -226.581671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.581671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.612283 (E_RNA)
where:
Base-Base interactions energy: -145.906
where: short stacking energy: -57.652
Base-Backbone interact. energy: 0.402
local terms energy: -81.109158
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -9.985
Dist. restrs. and SS energy: 0.031 (S_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: 65
Temperature: 1.300000
Total energy: -219.498062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.498062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548674 (E_RNA)
where:
Base-Base interactions energy: -137.347
where: short stacking energy: -63.949
Base-Backbone interact. energy: 2.117
local terms energy: -84.318718
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -219.618709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.618709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.739763 (E_RNA)
where:
Base-Base interactions energy: -133.905
where: short stacking energy: -62.535
Base-Backbone interact. energy: -0.259
local terms energy: -85.575124
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -342.425184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.425184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.523555 (E_RNA)
where:
Base-Base interactions energy: -238.652
where: short stacking energy: -107.081
Base-Backbone interact. energy: -0.168
local terms energy: -103.703961
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -335.085297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.085297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.151480 (E_RNA)
where:
Base-Base interactions energy: -222.819
where: short stacking energy: -108.824
Base-Backbone interact. energy: -0.126
local terms energy: -112.206426
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -319.935630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.935630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.967145 (E_RNA)
where:
Base-Base interactions energy: -206.973
where: short stacking energy: -110.075
Base-Backbone interact. energy: 0.488
local terms energy: -113.482150
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -29.070
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. 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: -301.197766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.197766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.228715 (E_RNA)
where:
Base-Base interactions energy: -206.632
where: short stacking energy: -84.617
Base-Backbone interact. energy: -0.172
local terms energy: -94.424900
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.031 (S_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: 66
Temperature: 1.100000
Total energy: -256.688631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.688631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.800739 (E_RNA)
where:
Base-Base interactions energy: -152.174
where: short stacking energy: -84.337
Base-Backbone interact. energy: -0.018
local terms energy: -104.608820
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.112 (S_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: 66
Temperature: 1.150000
Total energy: -277.889419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.889419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.665148 (E_RNA)
where:
Base-Base interactions energy: -187.853
where: short stacking energy: -85.047
Base-Backbone interact. energy: -0.418
local terms energy: -91.395097
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -28.342
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -259.195629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.195629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.414026 (E_RNA)
where:
Base-Base interactions energy: -176.740
where: short stacking energy: -73.335
Base-Backbone interact. energy: -1.342
local terms energy: -81.331648
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -13.485
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -240.109558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.109558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.453110 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -74.752
Base-Backbone interact. energy: -0.763
local terms energy: -93.273168
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -217.875856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.875856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.876364 (E_RNA)
where:
Base-Base interactions energy: -135.550
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.113
local terms energy: -82.213280
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.001 (S_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: 66
Temperature: 1.350000
Total energy: -229.658340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.658340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.027786 (E_RNA)
where:
Base-Base interactions energy: -162.783
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.611
local terms energy: -66.634055
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -345.151120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.151120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.171242 (E_RNA)
where:
Base-Base interactions energy: -228.956
where: short stacking energy: -102.110
Base-Backbone interact. energy: -0.152
local terms energy: -116.062880
where:
bonds (distance) C4'-P energy: -24.936
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -332.569231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.569231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.649670 (E_RNA)
where:
Base-Base interactions energy: -218.488
where: short stacking energy: -106.799
Base-Backbone interact. energy: -0.005
local terms energy: -114.157196
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -327.098217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.098217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.188797 (E_RNA)
where:
Base-Base interactions energy: -225.160
where: short stacking energy: -100.543
Base-Backbone interact. energy: -0.419
local terms energy: -101.610268
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. 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: -308.662575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.662575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.703258 (E_RNA)
where:
Base-Base interactions energy: -192.185
where: short stacking energy: -98.006
Base-Backbone interact. energy: -0.587
local terms energy: -115.930444
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -29.516
Dist. restrs. and SS energy: 0.041 (S_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: 67
Temperature: 1.100000
Total energy: -251.174093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.174093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.182987 (E_RNA)
where:
Base-Base interactions energy: -154.515
where: short stacking energy: -76.180
Base-Backbone interact. energy: -0.386
local terms energy: -96.282372
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.009 (S_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: 67
Temperature: 1.150000
Total energy: -265.438825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.438825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.413798 (E_RNA)
where:
Base-Base interactions energy: -167.574
where: short stacking energy: -76.000
Base-Backbone interact. energy: -0.130
local terms energy: -98.709130
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -257.384734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.384734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.431317 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -88.847
Base-Backbone interact. energy: -0.282
local terms energy: -86.594900
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -236.287249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.287249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.287249 (E_RNA)
where:
Base-Base interactions energy: -145.609
where: short stacking energy: -71.068
Base-Backbone interact. energy: -1.726
local terms energy: -88.952019
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -244.856910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.856910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.871595 (E_RNA)
where:
Base-Base interactions energy: -147.465
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.023
local terms energy: -97.384020
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.015 (S_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: 67
Temperature: 1.350000
Total energy: -240.844250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.844250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.110800 (E_RNA)
where:
Base-Base interactions energy: -167.492
where: short stacking energy: -71.078
Base-Backbone interact. energy: -0.213
local terms energy: -73.405645
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -342.897891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.897891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.897891 (E_RNA)
where:
Base-Base interactions energy: -230.458
where: short stacking energy: -100.024
Base-Backbone interact. energy: -0.218
local terms energy: -112.221989
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -339.419970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.419970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.437505 (E_RNA)
where:
Base-Base interactions energy: -231.294
where: short stacking energy: -114.421
Base-Backbone interact. energy: -0.742
local terms energy: -107.401721
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -32.174
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -326.597793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.597793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.704199 (E_RNA)
where:
Base-Base interactions energy: -218.890
where: short stacking energy: -100.385
Base-Backbone interact. energy: 0.322
local terms energy: -108.136254
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -312.430680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.430680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.438970 (E_RNA)
where:
Base-Base interactions energy: -208.055
where: short stacking energy: -86.447
Base-Backbone interact. energy: -0.215
local terms energy: -104.168340
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.008 (S_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: 68
Temperature: 1.100000
Total energy: -285.412447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.418279 (E_RNA)
where:
Base-Base interactions energy: -188.092
where: short stacking energy: -93.036
Base-Backbone interact. energy: -0.470
local terms energy: -96.856008
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -29.987
Dist. restrs. and SS energy: 0.006 (S_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: 68
Temperature: 1.150000
Total energy: -243.006241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.006241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.137480 (E_RNA)
where:
Base-Base interactions energy: -151.677
where: short stacking energy: -81.704
Base-Backbone interact. energy: -0.034
local terms energy: -91.425883
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.131 (S_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: 68
Temperature: 1.200000
Total energy: -240.173603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.173603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211739 (E_RNA)
where:
Base-Base interactions energy: -159.718
where: short stacking energy: -79.927
Base-Backbone interact. energy: -0.210
local terms energy: -80.283174
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -245.430075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.430075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.465721 (E_RNA)
where:
Base-Base interactions energy: -162.539
where: short stacking energy: -77.724
Base-Backbone interact. energy: -0.205
local terms energy: -82.721656
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.036 (S_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: 68
Temperature: 1.300000
Total energy: -246.321862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.321862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.657494 (E_RNA)
where:
Base-Base interactions energy: -160.972
where: short stacking energy: -85.920
Base-Backbone interact. energy: 0.001
local terms energy: -85.687089
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.336 (S_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: -240.683813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.683813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.728256 (E_RNA)
where:
Base-Base interactions energy: -154.631
where: short stacking energy: -71.738
Base-Backbone interact. energy: -0.197
local terms energy: -85.899544
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -340.834622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.834622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.837780 (E_RNA)
where:
Base-Base interactions energy: -229.507
where: short stacking energy: -103.942
Base-Backbone interact. energy: -0.678
local terms energy: -110.652115
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -29.405
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -331.798482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.798482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.835280 (E_RNA)
where:
Base-Base interactions energy: -218.700
where: short stacking energy: -111.645
Base-Backbone interact. energy: 0.620
local terms energy: -113.754884
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -33.875
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -316.037578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.037578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.117464 (E_RNA)
where:
Base-Base interactions energy: -210.811
where: short stacking energy: -100.725
Base-Backbone interact. energy: -0.069
local terms energy: -105.236710
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -308.963311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.963311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.161839 (E_RNA)
where:
Base-Base interactions energy: -201.371
where: short stacking energy: -91.149
Base-Backbone interact. energy: -0.083
local terms energy: -107.707368
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -26.409
Dist. restrs. and SS energy: 0.199 (S_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: 69
Temperature: 1.100000
Total energy: -265.172504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.172504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.191435 (E_RNA)
where:
Base-Base interactions energy: -162.266
where: short stacking energy: -79.613
Base-Backbone interact. energy: -0.243
local terms energy: -102.682110
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.019 (S_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: 69
Temperature: 1.150000
Total energy: -257.673360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.673360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.019262 (E_RNA)
where:
Base-Base interactions energy: -161.521
where: short stacking energy: -82.301
Base-Backbone interact. energy: 0.118
local terms energy: -96.615886
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -243.125696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.125696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.125696 (E_RNA)
where:
Base-Base interactions energy: -151.307
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.141
local terms energy: -91.677866
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -15.822
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: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -225.330810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.330810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.347069 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.256
local terms energy: -86.925539
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -236.387763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.387763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.471985 (E_RNA)
where:
Base-Base interactions energy: -153.830
where: short stacking energy: -79.875
Base-Backbone interact. energy: -0.125
local terms energy: -82.517357
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.084 (S_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: -233.698895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.698895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.284568 (E_RNA)
where:
Base-Base interactions energy: -149.288
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.168
local terms energy: -84.828801
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -340.910422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.910422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.940214 (E_RNA)
where:
Base-Base interactions energy: -222.321
where: short stacking energy: -109.418
Base-Backbone interact. energy: -0.013
local terms energy: -118.606873
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -320.600887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.600887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.943924 (E_RNA)
where:
Base-Base interactions energy: -215.497
where: short stacking energy: -101.538
Base-Backbone interact. energy: -0.116
local terms energy: -105.330905
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -24.825
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -322.624421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.624421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.716397 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -100.565
Base-Backbone interact. energy: -0.144
local terms energy: -98.576710
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -24.954
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -312.856375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.856375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.903899 (E_RNA)
where:
Base-Base interactions energy: -207.129
where: short stacking energy: -100.052
Base-Backbone interact. energy: -0.174
local terms energy: -105.600592
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -263.146371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.146371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.255790 (E_RNA)
where:
Base-Base interactions energy: -176.145
where: short stacking energy: -82.425
Base-Backbone interact. energy: 2.041
local terms energy: -89.151869
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.109 (S_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: 70
Temperature: 1.150000
Total energy: -263.707593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.707593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.725226 (E_RNA)
where:
Base-Base interactions energy: -171.873
where: short stacking energy: -80.204
Base-Backbone interact. energy: -0.835
local terms energy: -91.017769
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -246.223740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.223740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.316714 (E_RNA)
where:
Base-Base interactions energy: -156.643
where: short stacking energy: -83.126
Base-Backbone interact. energy: 0.905
local terms energy: -90.579435
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -234.847764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.847764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.982859 (E_RNA)
where:
Base-Base interactions energy: -148.469
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.283
local terms energy: -86.230102
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -233.001828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.001828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.080895 (E_RNA)
where:
Base-Base interactions energy: -139.359
where: short stacking energy: -68.654
Base-Backbone interact. energy: 0.700
local terms energy: -94.422327
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.079 (S_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: -217.465331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.465331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.523125 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -62.493
Base-Backbone interact. energy: 0.405
local terms energy: -84.338902
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -342.087108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.087108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.087593 (E_RNA)
where:
Base-Base interactions energy: -226.578
where: short stacking energy: -115.999
Base-Backbone interact. energy: -0.014
local terms energy: -115.495353
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -31.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -327.511273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.511273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.531448 (E_RNA)
where:
Base-Base interactions energy: -221.601
where: short stacking energy: -101.743
Base-Backbone interact. energy: -0.010
local terms energy: -105.920715
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -322.647954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.647954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.678789 (E_RNA)
where:
Base-Base interactions energy: -218.993
where: short stacking energy: -93.024
Base-Backbone interact. energy: -0.234
local terms energy: -103.451639
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -26.378
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -299.767905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.767905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.093793 (E_RNA)
where:
Base-Base interactions energy: -201.571
where: short stacking energy: -94.091
Base-Backbone interact. energy: -0.950
local terms energy: -97.572391
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -270.204895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.204895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.260913 (E_RNA)
where:
Base-Base interactions energy: -174.161
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.153
local terms energy: -95.947182
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.056 (S_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: 71
Temperature: 1.150000
Total energy: -270.618151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.618151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.629200 (E_RNA)
where:
Base-Base interactions energy: -176.916
where: short stacking energy: -94.871
Base-Backbone interact. energy: -0.434
local terms energy: -93.279753
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.011 (S_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: 71
Temperature: 1.200000
Total energy: -243.030792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.030792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.341705 (E_RNA)
where:
Base-Base interactions energy: -152.674
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.152
local terms energy: -90.516522
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -231.919767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.919767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.983199 (E_RNA)
where:
Base-Base interactions energy: -144.098
where: short stacking energy: -75.639
Base-Backbone interact. energy: -0.138
local terms energy: -87.747377
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.063 (S_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: 71
Temperature: 1.300000
Total energy: -231.430162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.430162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.570062 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.097
local terms energy: -95.105193
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.140 (S_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: -216.702188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.702188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.156577 (E_RNA)
where:
Base-Base interactions energy: -143.882
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.538
local terms energy: -72.736196
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -342.884734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.884734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.935740 (E_RNA)
where:
Base-Base interactions energy: -228.586
where: short stacking energy: -113.220
Base-Backbone interact. energy: -0.007
local terms energy: -114.342748
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -32.427
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -331.260188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.260188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.133819 (E_RNA)
where:
Base-Base interactions energy: -224.990
where: short stacking energy: -99.198
Base-Backbone interact. energy: -0.136
local terms energy: -107.007836
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -28.839
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -320.455288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.455288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.663641 (E_RNA)
where:
Base-Base interactions energy: -220.103
where: short stacking energy: -97.461
Base-Backbone interact. energy: -1.093
local terms energy: -99.467901
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -307.971933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.971933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.160784 (E_RNA)
where:
Base-Base interactions energy: -204.564
where: short stacking energy: -100.374
Base-Backbone interact. energy: -0.153
local terms energy: -103.443262
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -28.088
Dist. restrs. and SS energy: 0.189 (S_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: -268.656753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.656753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.663182 (E_RNA)
where:
Base-Base interactions energy: -172.248
where: short stacking energy: -89.716
Base-Backbone interact. energy: -0.094
local terms energy: -96.321447
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.006 (S_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: 72
Temperature: 1.150000
Total energy: -260.896546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.896546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.034910 (E_RNA)
where:
Base-Base interactions energy: -168.563
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.176
local terms energy: -92.295544
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -250.056403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.056403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.066172 (E_RNA)
where:
Base-Base interactions energy: -166.683
where: short stacking energy: -79.128
Base-Backbone interact. energy: 0.409
local terms energy: -83.791580
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -245.303510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.303510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.303510 (E_RNA)
where:
Base-Base interactions energy: -158.785
where: short stacking energy: -77.783
Base-Backbone interact. energy: 2.227
local terms energy: -88.745606
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -18.262
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: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -231.613186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.613186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.852712 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -73.272
Base-Backbone interact. energy: -0.830
local terms energy: -86.426775
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.240 (S_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: -229.947630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.947630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.947630 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.095
local terms energy: -91.076577
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -336.653214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.653214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.653214 (E_RNA)
where:
Base-Base interactions energy: -214.397
where: short stacking energy: -112.426
Base-Backbone interact. energy: -0.030
local terms energy: -122.226742
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -35.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -326.372599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.372599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.640643 (E_RNA)
where:
Base-Base interactions energy: -219.808
where: short stacking energy: -105.007
Base-Backbone interact. energy: -0.009
local terms energy: -108.823162
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -310.586937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.586937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.592003 (E_RNA)
where:
Base-Base interactions energy: -203.387
where: short stacking energy: -102.844
Base-Backbone interact. energy: -0.109
local terms energy: -107.096472
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -305.762647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.762647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.779620 (E_RNA)
where:
Base-Base interactions energy: -201.364
where: short stacking energy: -85.571
Base-Backbone interact. energy: 0.014
local terms energy: -104.428897
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -26.781
Dist. restrs. and SS energy: 0.017 (S_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: -273.217732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.217732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.446994 (E_RNA)
where:
Base-Base interactions energy: -187.278
where: short stacking energy: -95.318
Base-Backbone interact. energy: -0.063
local terms energy: -86.106287
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. 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: -254.653323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.653323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.680409 (E_RNA)
where:
Base-Base interactions energy: -164.957
where: short stacking energy: -84.658
Base-Backbone interact. energy: -0.240
local terms energy: -89.483337
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.027 (S_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: 73
Temperature: 1.200000
Total energy: -241.523097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.523097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.638655 (E_RNA)
where:
Base-Base interactions energy: -158.185
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.207
local terms energy: -83.247353
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.116 (S_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: 73
Temperature: 1.250000
Total energy: -245.959136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.959136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.235099 (E_RNA)
where:
Base-Base interactions energy: -162.856
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.084
local terms energy: -83.295492
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -232.739020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.739020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.756528 (E_RNA)
where:
Base-Base interactions energy: -159.866
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.352
local terms energy: -72.538641
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.018 (S_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: -197.527659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.527659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.546750 (E_RNA)
where:
Base-Base interactions energy: -125.692
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.422
local terms energy: -71.432832
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -338.077577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.077577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.388212 (E_RNA)
where:
Base-Base interactions energy: -232.810
where: short stacking energy: -103.419
Base-Backbone interact. energy: -0.101
local terms energy: -106.477515
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 1.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -334.632223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.632223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.632223 (E_RNA)
where:
Base-Base interactions energy: -224.479
where: short stacking energy: -115.944
Base-Backbone interact. energy: -0.353
local terms energy: -109.800239
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -33.236
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: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -322.594517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.594517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.594517 (E_RNA)
where:
Base-Base interactions energy: -210.429
where: short stacking energy: -103.387
Base-Backbone interact. energy: -0.064
local terms energy: -112.101897
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -28.606
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -315.224772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.224772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.323340 (E_RNA)
where:
Base-Base interactions energy: -209.194
where: short stacking energy: -100.716
Base-Backbone interact. energy: -0.622
local terms energy: -105.506724
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -31.718
Dist. restrs. and SS energy: 0.099 (S_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: -271.742516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.742516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.983695 (E_RNA)
where:
Base-Base interactions energy: -163.345
where: short stacking energy: -84.428
Base-Backbone interact. energy: -0.060
local terms energy: -108.578424
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. 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: -241.912123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.912123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.248392 (E_RNA)
where:
Base-Base interactions energy: -154.209
where: short stacking energy: -80.185
Base-Backbone interact. energy: -0.709
local terms energy: -87.330964
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.336 (S_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: 74
Temperature: 1.200000
Total energy: -252.130436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.130436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.212559 (E_RNA)
where:
Base-Base interactions energy: -170.807
where: short stacking energy: -73.225
Base-Backbone interact. energy: -0.304
local terms energy: -81.101103
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -225.391093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.391093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.420219 (E_RNA)
where:
Base-Base interactions energy: -145.916
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.103
local terms energy: -79.401174
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -232.836699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.836699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.958530 (E_RNA)
where:
Base-Base interactions energy: -157.480
where: short stacking energy: -86.019
Base-Backbone interact. energy: -0.065
local terms energy: -75.413138
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.122 (S_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: -226.207379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.207379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.304475 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.101
local terms energy: -82.664454
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -337.910454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.910454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.535954 (E_RNA)
where:
Base-Base interactions energy: -225.288
where: short stacking energy: -112.752
Base-Backbone interact. energy: -0.043
local terms energy: -114.205239
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -32.805
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -324.284539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.284539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.550092 (E_RNA)
where:
Base-Base interactions energy: -221.050
where: short stacking energy: -100.770
Base-Backbone interact. energy: -0.227
local terms energy: -103.273420
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -23.920
Dist. restrs. and SS energy: 0.266 (S_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: 75
Temperature: 1.000000
Total energy: -322.743795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.743795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.048995 (E_RNA)
where:
Base-Base interactions energy: -208.256
where: short stacking energy: -96.360
Base-Backbone interact. energy: -0.007
local terms energy: -114.785487
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -317.251981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.251981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.288627 (E_RNA)
where:
Base-Base interactions energy: -203.941
where: short stacking energy: -89.795
Base-Backbone interact. energy: -0.018
local terms energy: -113.329044
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: 0.037 (S_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: -260.409895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.409895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.530367 (E_RNA)
where:
Base-Base interactions energy: -154.242
where: short stacking energy: -81.909
Base-Backbone interact. energy: -0.131
local terms energy: -106.156964
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -261.297373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.297373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.389519 (E_RNA)
where:
Base-Base interactions energy: -181.577
where: short stacking energy: -72.618
Base-Backbone interact. energy: 1.984
local terms energy: -81.796919
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -234.664826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.664826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.715593 (E_RNA)
where:
Base-Base interactions energy: -145.737
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.632
local terms energy: -88.346434
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -257.119656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.119656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.331218 (E_RNA)
where:
Base-Base interactions energy: -165.379
where: short stacking energy: -87.717
Base-Backbone interact. energy: 2.338
local terms energy: -94.290517
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -223.906308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.906308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.031999 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -73.459
Base-Backbone interact. energy: -0.062
local terms energy: -88.599532
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.126 (S_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: -211.713120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.713120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.808501 (E_RNA)
where:
Base-Base interactions energy: -139.045
where: short stacking energy: -68.287
Base-Backbone interact. energy: -0.070
local terms energy: -72.693411
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -338.120437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.120437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.408512 (E_RNA)
where:
Base-Base interactions energy: -226.297
where: short stacking energy: -103.461
Base-Backbone interact. energy: -0.654
local terms energy: -112.457138
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -28.347
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -318.248962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.248962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.289145 (E_RNA)
where:
Base-Base interactions energy: -221.695
where: short stacking energy: -98.509
Base-Backbone interact. energy: -0.117
local terms energy: -96.477475
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -321.628479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.628479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.719305 (E_RNA)
where:
Base-Base interactions energy: -208.868
where: short stacking energy: -100.544
Base-Backbone interact. energy: -0.261
local terms energy: -112.589510
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -30.374
Dist. restrs. and SS energy: 0.091 (S_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: 76
Temperature: 1.050000
Total energy: -289.257049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.257049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.257049 (E_RNA)
where:
Base-Base interactions energy: -176.383
where: short stacking energy: -94.387
Base-Backbone interact. energy: 1.991
local terms energy: -114.865098
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -31.653
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: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -273.995848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.995848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.066196 (E_RNA)
where:
Base-Base interactions energy: -178.523
where: short stacking energy: -95.390
Base-Backbone interact. energy: -0.219
local terms energy: -95.324526
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -270.539472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.539472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.569185 (E_RNA)
where:
Base-Base interactions energy: -181.970
where: short stacking energy: -77.828
Base-Backbone interact. energy: -0.160
local terms energy: -88.439408
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.030 (S_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: 76
Temperature: 1.200000
Total energy: -280.057145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.057145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.365367 (E_RNA)
where:
Base-Base interactions energy: -188.147
where: short stacking energy: -83.409
Base-Backbone interact. energy: -0.203
local terms energy: -92.015881
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -232.860971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.860971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.936790 (E_RNA)
where:
Base-Base interactions energy: -145.483
where: short stacking energy: -70.088
Base-Backbone interact. energy: -0.423
local terms energy: -87.030521
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -225.850429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.850429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.850429 (E_RNA)
where:
Base-Base interactions energy: -145.759
where: short stacking energy: -62.200
Base-Backbone interact. energy: -0.544
local terms energy: -79.547602
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -9.409
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: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -220.721642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.721642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809204 (E_RNA)
where:
Base-Base interactions energy: -147.161
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.322
local terms energy: -73.326044
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -325.870833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.870833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.877755 (E_RNA)
where:
Base-Base interactions energy: -225.344
where: short stacking energy: -95.116
Base-Backbone interact. energy: -1.258
local terms energy: -99.275786
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.007 (S_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: -328.525121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.525121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.601871 (E_RNA)
where:
Base-Base interactions energy: -215.381
where: short stacking energy: -103.597
Base-Backbone interact. energy: -0.003
local terms energy: -113.218098
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -28.818
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -323.164826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.164826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.431850 (E_RNA)
where:
Base-Base interactions energy: -219.482
where: short stacking energy: -94.134
Base-Backbone interact. energy: -0.394
local terms energy: -103.555538
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -26.949
Dist. restrs. and SS energy: 0.267 (S_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: 77
Temperature: 1.050000
Total energy: -269.652269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.652269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.730350 (E_RNA)
where:
Base-Base interactions energy: -175.265
where: short stacking energy: -89.527
Base-Backbone interact. energy: -0.033
local terms energy: -94.432237
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.078 (S_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: -297.469888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.469888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.614480 (E_RNA)
where:
Base-Base interactions energy: -191.471
where: short stacking energy: -91.377
Base-Backbone interact. energy: -0.037
local terms energy: -106.106550
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -268.576325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.576325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.652322 (E_RNA)
where:
Base-Base interactions energy: -173.496
where: short stacking energy: -87.658
Base-Backbone interact. energy: -0.002
local terms energy: -95.154468
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: 0.076 (S_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: 77
Temperature: 1.200000
Total energy: -250.254211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.254211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.330537 (E_RNA)
where:
Base-Base interactions energy: -166.001
where: short stacking energy: -75.022
Base-Backbone interact. energy: -0.250
local terms energy: -84.079797
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -230.822268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.822268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.992121 (E_RNA)
where:
Base-Base interactions energy: -150.715
where: short stacking energy: -68.515
Base-Backbone interact. energy: -0.200
local terms energy: -80.077176
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -207.184726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.184726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.310180 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -52.442
Base-Backbone interact. energy: -0.591
local terms energy: -81.618074
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.125 (S_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: -232.692435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.692435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.776384 (E_RNA)
where:
Base-Base interactions energy: -143.985
where: short stacking energy: -71.356
Base-Backbone interact. energy: -1.084
local terms energy: -87.707725
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.084 (S_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: 78
Temperature: 0.900000
Total energy: -329.617115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.617115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.733058 (E_RNA)
where:
Base-Base interactions energy: -225.735
where: short stacking energy: -102.717
Base-Backbone interact. energy: -0.007
local terms energy: -103.991016
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -29.122
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -322.844690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.844690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.856452 (E_RNA)
where:
Base-Base interactions energy: -218.107
where: short stacking energy: -99.838
Base-Backbone interact. energy: -0.182
local terms energy: -104.567130
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -327.424126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.424126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.481344 (E_RNA)
where:
Base-Base interactions energy: -227.675
where: short stacking energy: -103.948
Base-Backbone interact. energy: -0.377
local terms energy: -99.429454
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.057 (S_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: 78
Temperature: 1.050000
Total energy: -285.565716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.565716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.722621 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -96.448
Base-Backbone interact. energy: -0.053
local terms energy: -101.090321
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -27.335
Dist. restrs. and SS energy: 0.157 (S_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: -276.058394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.058394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.273703 (E_RNA)
where:
Base-Base interactions energy: -174.346
where: short stacking energy: -86.707
Base-Backbone interact. energy: -0.168
local terms energy: -101.759173
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -260.400929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.400929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.400929 (E_RNA)
where:
Base-Base interactions energy: -160.833
where: short stacking energy: -80.993
Base-Backbone interact. energy: -0.309
local terms energy: -99.259508
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -252.523916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.523916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.570565 (E_RNA)
where:
Base-Base interactions energy: -161.716
where: short stacking energy: -80.087
Base-Backbone interact. energy: -0.102
local terms energy: -90.753148
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -240.766281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.766281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.810756 (E_RNA)
where:
Base-Base interactions energy: -155.270
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.153
local terms energy: -85.387989
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -230.181544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.181544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474776 (E_RNA)
where:
Base-Base interactions energy: -142.768
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.211
local terms energy: -87.496259
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -192.573772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.573772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.620106 (E_RNA)
where:
Base-Base interactions energy: -123.823
where: short stacking energy: -46.414
Base-Backbone interact. energy: 0.385
local terms energy: -69.181829
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.046 (S_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: 79
Temperature: 0.900000
Total energy: -322.057795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.057795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.092054 (E_RNA)
where:
Base-Base interactions energy: -211.607
where: short stacking energy: -97.226
Base-Backbone interact. energy: -0.122
local terms energy: -110.363369
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -29.278
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -327.846564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.846564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.231795 (E_RNA)
where:
Base-Base interactions energy: -226.544
where: short stacking energy: -101.352
Base-Backbone interact. energy: -0.517
local terms energy: -101.170946
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -24.237
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -318.722581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.722581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.735880 (E_RNA)
where:
Base-Base interactions energy: -215.105
where: short stacking energy: -106.550
Base-Backbone interact. energy: -0.264
local terms energy: -103.366724
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -25.137
Dist. restrs. and SS energy: 0.013 (S_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: 79
Temperature: 1.050000
Total energy: -271.833090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.833090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.912669 (E_RNA)
where:
Base-Base interactions energy: -171.674
where: short stacking energy: -85.667
Base-Backbone interact. energy: -0.171
local terms energy: -100.067234
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.080 (S_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: 79
Temperature: 1.100000
Total energy: -263.988089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.988089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.996590 (E_RNA)
where:
Base-Base interactions energy: -160.601
where: short stacking energy: -86.020
Base-Backbone interact. energy: -0.194
local terms energy: -103.201849
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.009 (S_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: 79
Temperature: 1.150000
Total energy: -246.074549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.074549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.149543 (E_RNA)
where:
Base-Base interactions energy: -151.777
where: short stacking energy: -79.196
Base-Backbone interact. energy: -0.059
local terms energy: -94.313708
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.075 (S_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: 79
Temperature: 1.200000
Total energy: -259.452263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.452263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.452263 (E_RNA)
where:
Base-Base interactions energy: -164.873
where: short stacking energy: -87.532
Base-Backbone interact. energy: -0.271
local terms energy: -94.309131
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -226.305360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.305360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.589559 (E_RNA)
where:
Base-Base interactions energy: -138.921
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.576
local terms energy: -87.092583
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -220.864243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.864243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.892165 (E_RNA)
where:
Base-Base interactions energy: -127.914
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.365
local terms energy: -92.613202
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -209.930570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.930570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.335577 (E_RNA)
where:
Base-Base interactions energy: -134.857
where: short stacking energy: -70.992
Base-Backbone interact. energy: 0.965
local terms energy: -76.443569
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -334.229658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.229658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.242970 (E_RNA)
where:
Base-Base interactions energy: -222.444
where: short stacking energy: -105.515
Base-Backbone interact. energy: -0.217
local terms energy: -111.582079
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.013 (S_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: -315.491832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.491832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.648495 (E_RNA)
where:
Base-Base interactions energy: -210.330
where: short stacking energy: -89.906
Base-Backbone interact. energy: -0.182
local terms energy: -105.136569
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -323.805525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.805525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.841311 (E_RNA)
where:
Base-Base interactions energy: -219.387
where: short stacking energy: -103.263
Base-Backbone interact. energy: -0.267
local terms energy: -104.187333
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.036 (S_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: 80
Temperature: 1.050000
Total energy: -280.337825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.337825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.340670 (E_RNA)
where:
Base-Base interactions energy: -181.925
where: short stacking energy: -81.248
Base-Backbone interact. energy: -0.073
local terms energy: -98.342070
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -273.408032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.408032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.725014 (E_RNA)
where:
Base-Base interactions energy: -182.195
where: short stacking energy: -95.247
Base-Backbone interact. energy: -0.060
local terms energy: -91.469841
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -256.377712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.377712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.470721 (E_RNA)
where:
Base-Base interactions energy: -165.842
where: short stacking energy: -87.640
Base-Backbone interact. energy: -0.331
local terms energy: -90.298388
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.093 (S_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: 80
Temperature: 1.200000
Total energy: -262.797255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.797255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.819881 (E_RNA)
where:
Base-Base interactions energy: -166.946
where: short stacking energy: -79.174
Base-Backbone interact. energy: -0.137
local terms energy: -95.736775
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -231.490667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.490667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.490667 (E_RNA)
where:
Base-Base interactions energy: -144.529
where: short stacking energy: -70.191
Base-Backbone interact. energy: -0.378
local terms energy: -86.583767
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -214.438156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725889 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -54.848
Base-Backbone interact. energy: 0.894
local terms energy: -82.336632
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -243.766292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.766292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.855911 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.091
local terms energy: -92.237070
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -331.020894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.020894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.026376 (E_RNA)
where:
Base-Base interactions energy: -221.855
where: short stacking energy: -97.958
Base-Backbone interact. energy: 0.433
local terms energy: -109.604484
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -322.435462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.435462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.435462 (E_RNA)
where:
Base-Base interactions energy: -214.837
where: short stacking energy: -95.787
Base-Backbone interact. energy: -0.788
local terms energy: -106.811112
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -317.517214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.517214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.537292 (E_RNA)
where:
Base-Base interactions energy: -216.771
where: short stacking energy: -94.573
Base-Backbone interact. energy: -0.347
local terms energy: -100.419264
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.020 (S_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: 81
Temperature: 1.050000
Total energy: -291.569199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.569199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.569199 (E_RNA)
where:
Base-Base interactions energy: -186.515
where: short stacking energy: -94.498
Base-Backbone interact. energy: 1.764
local terms energy: -106.818200
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -263.062328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.062328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.077448 (E_RNA)
where:
Base-Base interactions energy: -165.120
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.068
local terms energy: -97.889335
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -254.602002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.602002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.789036 (E_RNA)
where:
Base-Base interactions energy: -160.453
where: short stacking energy: -83.890
Base-Backbone interact. energy: -0.093
local terms energy: -94.242955
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -251.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.290279 (E_RNA)
where:
Base-Base interactions energy: -151.121
where: short stacking energy: -75.561
Base-Backbone interact. energy: 0.539
local terms energy: -100.708288
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -238.136601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.136601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.298009 (E_RNA)
where:
Base-Base interactions energy: -148.167
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.415
local terms energy: -89.715864
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -232.588396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.588396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.643500 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.620
local terms energy: -89.064915
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -231.367307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.367307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.411693 (E_RNA)
where:
Base-Base interactions energy: -152.752
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.239
local terms energy: -78.420518
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -328.272887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.272887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.272887 (E_RNA)
where:
Base-Base interactions energy: -218.708
where: short stacking energy: -99.736
Base-Backbone interact. energy: -0.182
local terms energy: -109.382200
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -324.278275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.278275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.373887 (E_RNA)
where:
Base-Base interactions energy: -218.720
where: short stacking energy: -97.071
Base-Backbone interact. energy: -0.203
local terms energy: -105.451235
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -25.727
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -310.241406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.241406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.268228 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -98.428
Base-Backbone interact. energy: 0.342
local terms energy: -97.237855
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.027 (S_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: 82
Temperature: 1.050000
Total energy: -273.326492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.326492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.435692 (E_RNA)
where:
Base-Base interactions energy: -176.969
where: short stacking energy: -83.829
Base-Backbone interact. energy: -0.485
local terms energy: -95.981627
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -270.398419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.398419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.820771 (E_RNA)
where:
Base-Base interactions energy: -175.873
where: short stacking energy: -84.281
Base-Backbone interact. energy: -0.155
local terms energy: -94.792653
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.422 (S_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: 82
Temperature: 1.150000
Total energy: -249.555810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.555810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.873804 (E_RNA)
where:
Base-Base interactions energy: -164.787
where: short stacking energy: -85.612
Base-Backbone interact. energy: 0.889
local terms energy: -85.975082
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -257.560719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.560719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.623493 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -86.079
Base-Backbone interact. energy: -0.065
local terms energy: -103.266075
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -27.893
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -247.641911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.641911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.046834 (E_RNA)
where:
Base-Base interactions energy: -158.570
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.244
local terms energy: -89.233285
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. 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: -239.140681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.140681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.278960 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -72.520
Base-Backbone interact. energy: -1.208
local terms energy: -89.861772
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -217.122892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.122892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.273617 (E_RNA)
where:
Base-Base interactions energy: -134.195
where: short stacking energy: -68.864
Base-Backbone interact. energy: -1.260
local terms energy: -81.818640
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -329.036117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.036117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.036117 (E_RNA)
where:
Base-Base interactions energy: -223.011
where: short stacking energy: -114.355
Base-Backbone interact. energy: -0.119
local terms energy: -105.906125
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -15.512
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: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -332.402764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.402764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.515987 (E_RNA)
where:
Base-Base interactions energy: -225.142
where: short stacking energy: -98.697
Base-Backbone interact. energy: -0.417
local terms energy: -106.956444
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -312.274061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.274061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.276401 (E_RNA)
where:
Base-Base interactions energy: -209.670
where: short stacking energy: -97.273
Base-Backbone interact. energy: -0.112
local terms energy: -102.495020
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -290.089698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.089698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.181272 (E_RNA)
where:
Base-Base interactions energy: -194.443
where: short stacking energy: -88.768
Base-Backbone interact. energy: -0.426
local terms energy: -95.312798
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.092 (S_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: -275.199004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.199004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.199004 (E_RNA)
where:
Base-Base interactions energy: -181.318
where: short stacking energy: -88.450
Base-Backbone interact. energy: -0.175
local terms energy: -93.705354
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -271.226858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.226858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.359743 (E_RNA)
where:
Base-Base interactions energy: -174.744
where: short stacking energy: -86.985
Base-Backbone interact. energy: -0.097
local terms energy: -96.519173
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -23.556
Dist. restrs. and SS energy: 0.133 (S_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: 83
Temperature: 1.200000
Total energy: -246.670100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.670100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.679871 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.101
local terms energy: -92.801046
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -242.650596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.650596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.662841 (E_RNA)
where:
Base-Base interactions energy: -158.066
where: short stacking energy: -79.455
Base-Backbone interact. energy: 0.111
local terms energy: -84.707162
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -244.078047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.078047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.748768 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -73.461
Base-Backbone interact. energy: 0.650
local terms energy: -88.613742
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -210.445945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.445945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.647848 (E_RNA)
where:
Base-Base interactions energy: -143.354
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.383
local terms energy: -66.910469
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.202 (S_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: 84
Temperature: 0.900000
Total energy: -333.812512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.812512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.859511 (E_RNA)
where:
Base-Base interactions energy: -227.038
where: short stacking energy: -104.444
Base-Backbone interact. energy: -0.156
local terms energy: -106.665520
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -30.339
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -322.429381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.429381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.308910 (E_RNA)
where:
Base-Base interactions energy: -216.308
where: short stacking energy: -100.069
Base-Backbone interact. energy: -0.558
local terms energy: -106.442509
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -304.221068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.221068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.221545 (E_RNA)
where:
Base-Base interactions energy: -206.708
where: short stacking energy: -92.782
Base-Backbone interact. energy: -0.113
local terms energy: -97.400028
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -20.864
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: 84
Temperature: 1.050000
Total energy: -300.087677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.087677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.162283 (E_RNA)
where:
Base-Base interactions energy: -197.578
where: short stacking energy: -91.469
Base-Backbone interact. energy: 0.984
local terms energy: -103.568386
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.075 (S_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: 84
Temperature: 1.100000
Total energy: -271.680284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.680284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.809730 (E_RNA)
where:
Base-Base interactions energy: -169.489
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.676
local terms energy: -101.644212
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -262.780762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.780762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.007226 (E_RNA)
where:
Base-Base interactions energy: -167.657
where: short stacking energy: -77.747
Base-Backbone interact. energy: 0.052
local terms energy: -95.402645
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.226 (S_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: 84
Temperature: 1.200000
Total energy: -242.976956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.976956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.976956 (E_RNA)
where:
Base-Base interactions energy: -153.878
where: short stacking energy: -85.856
Base-Backbone interact. energy: 0.612
local terms energy: -89.710209
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -253.479661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.479661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.524907 (E_RNA)
where:
Base-Base interactions energy: -170.857
where: short stacking energy: -76.203
Base-Backbone interact. energy: 0.289
local terms energy: -82.956769
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -226.572513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.572513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.759549 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.021
local terms energy: -89.929953
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -216.615923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.615923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.615923 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -69.763
Base-Backbone interact. energy: 2.351
local terms energy: -72.819929
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -17.363
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: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -333.591775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.591775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.621225 (E_RNA)
where:
Base-Base interactions energy: -217.526
where: short stacking energy: -98.812
Base-Backbone interact. energy: -0.009
local terms energy: -116.086337
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -321.773557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.773557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.795586 (E_RNA)
where:
Base-Base interactions energy: -218.857
where: short stacking energy: -106.540
Base-Backbone interact. energy: -0.307
local terms energy: -102.631145
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -308.231931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.231931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.317206 (E_RNA)
where:
Base-Base interactions energy: -203.673
where: short stacking energy: -90.792
Base-Backbone interact. energy: -0.122
local terms energy: -104.522321
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. 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: -307.676959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.676959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.803446 (E_RNA)
where:
Base-Base interactions energy: -200.334
where: short stacking energy: -101.473
Base-Backbone interact. energy: -0.010
local terms energy: -107.459791
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 0.126 (S_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: 85
Temperature: 1.100000
Total energy: -271.363365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.363365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.427014 (E_RNA)
where:
Base-Base interactions energy: -169.419
where: short stacking energy: -86.192
Base-Backbone interact. energy: -0.077
local terms energy: -101.931546
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -246.715512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.715512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.715512 (E_RNA)
where:
Base-Base interactions energy: -153.272
where: short stacking energy: -76.628
Base-Backbone interact. energy: -0.403
local terms energy: -93.041000
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -236.718986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.718986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.832108 (E_RNA)
where:
Base-Base interactions energy: -154.992
where: short stacking energy: -77.094
Base-Backbone interact. energy: -0.130
local terms energy: -81.709405
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -226.539289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.539289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.632285 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -73.101
Base-Backbone interact. energy: 0.109
local terms energy: -80.062952
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -229.158428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.158428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.358593 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.059
local terms energy: -80.458890
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -228.126916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.126916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.255117 (E_RNA)
where:
Base-Base interactions energy: -145.636
where: short stacking energy: -69.891
Base-Backbone interact. energy: -0.221
local terms energy: -82.398223
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.128 (S_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: -333.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.021871 (E_RNA)
where:
Base-Base interactions energy: -219.955
where: short stacking energy: -105.030
Base-Backbone interact. energy: -0.362
local terms energy: -112.704388
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -31.780
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -330.478331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.478331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.536286 (E_RNA)
where:
Base-Base interactions energy: -221.825
where: short stacking energy: -99.516
Base-Backbone interact. energy: -0.095
local terms energy: -108.616096
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -26.290
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. 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: -320.190525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.190525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.237602 (E_RNA)
where:
Base-Base interactions energy: -211.093
where: short stacking energy: -101.730
Base-Backbone interact. energy: -0.585
local terms energy: -108.559323
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -32.368
Dist. restrs. and SS energy: 0.047 (S_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: 86
Temperature: 1.050000
Total energy: -307.271540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.271540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.271540 (E_RNA)
where:
Base-Base interactions energy: -204.433
where: short stacking energy: -99.782
Base-Backbone interact. energy: -0.937
local terms energy: -101.901420
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -266.542207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.542207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.703917 (E_RNA)
where:
Base-Base interactions energy: -168.285
where: short stacking energy: -91.235
Base-Backbone interact. energy: -0.102
local terms energy: -98.317061
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -246.490503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.490503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.725662 (E_RNA)
where:
Base-Base interactions energy: -156.918
where: short stacking energy: -89.849
Base-Backbone interact. energy: -0.033
local terms energy: -89.774482
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -258.478930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.478930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.649505 (E_RNA)
where:
Base-Base interactions energy: -167.271
where: short stacking energy: -89.364
Base-Backbone interact. energy: -0.089
local terms energy: -91.289562
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -242.643069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.643069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.670541 (E_RNA)
where:
Base-Base interactions energy: -159.035
where: short stacking energy: -84.794
Base-Backbone interact. energy: -0.748
local terms energy: -82.887322
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -223.509023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.509023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570939 (E_RNA)
where:
Base-Base interactions energy: -145.684
where: short stacking energy: -71.044
Base-Backbone interact. energy: -0.289
local terms energy: -77.598519
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -210.303829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.353862 (E_RNA)
where:
Base-Base interactions energy: -134.120
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.268
local terms energy: -75.966425
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.050 (S_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: -338.764216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.764216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.844708 (E_RNA)
where:
Base-Base interactions energy: -219.613
where: short stacking energy: -113.518
Base-Backbone interact. energy: -0.285
local terms energy: -118.946258
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -32.256
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -317.927692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.927692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.212073 (E_RNA)
where:
Base-Base interactions energy: -217.127
where: short stacking energy: -97.564
Base-Backbone interact. energy: -0.295
local terms energy: -101.789539
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -319.870725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.870725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.966489 (E_RNA)
where:
Base-Base interactions energy: -221.316
where: short stacking energy: -98.812
Base-Backbone interact. energy: -0.393
local terms energy: -98.257030
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.096 (S_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: 87
Temperature: 1.050000
Total energy: -312.925603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.925603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.982289 (E_RNA)
where:
Base-Base interactions energy: -213.142
where: short stacking energy: -98.575
Base-Backbone interact. energy: -0.077
local terms energy: -101.763295
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -27.491
Dist. restrs. and SS energy: 2.057 (S_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: 87
Temperature: 1.100000
Total energy: -254.153571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.153571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.167083 (E_RNA)
where:
Base-Base interactions energy: -153.690
where: short stacking energy: -77.894
Base-Backbone interact. energy: -0.118
local terms energy: -100.358991
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -263.432545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.432545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.513758 (E_RNA)
where:
Base-Base interactions energy: -166.190
where: short stacking energy: -75.582
Base-Backbone interact. energy: -0.099
local terms energy: -97.225318
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -245.882617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.882617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.190070 (E_RNA)
where:
Base-Base interactions energy: -157.738
where: short stacking energy: -84.464
Base-Backbone interact. energy: -0.226
local terms energy: -88.225530
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -254.348445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.348445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.665812 (E_RNA)
where:
Base-Base interactions energy: -160.769
where: short stacking energy: -82.578
Base-Backbone interact. energy: -0.313
local terms energy: -93.583181
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -231.223367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.223367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.256838 (E_RNA)
where:
Base-Base interactions energy: -150.715
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.207
local terms energy: -80.335611
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -191.490580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.490580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.583767 (E_RNA)
where:
Base-Base interactions energy: -118.224
where: short stacking energy: -44.565
Base-Backbone interact. energy: -0.096
local terms energy: -73.263963
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.093 (S_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: 88
Temperature: 0.900000
Total energy: -345.366240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.366240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.421340 (E_RNA)
where:
Base-Base interactions energy: -231.033
where: short stacking energy: -108.896
Base-Backbone interact. energy: -0.003
local terms energy: -114.385239
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -31.322
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -321.598051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.598051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.820491 (E_RNA)
where:
Base-Base interactions energy: -214.959
where: short stacking energy: -105.147
Base-Backbone interact. energy: -0.007
local terms energy: -107.854284
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 1.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -326.459099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.459099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.599000 (E_RNA)
where:
Base-Base interactions energy: -223.629
where: short stacking energy: -97.051
Base-Backbone interact. energy: 1.089
local terms energy: -104.058864
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.140 (S_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: 88
Temperature: 1.050000
Total energy: -325.229660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.229660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.260152 (E_RNA)
where:
Base-Base interactions energy: -214.780
where: short stacking energy: -103.002
Base-Backbone interact. energy: -0.123
local terms energy: -113.357171
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 3.030 (S_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: 88
Temperature: 1.100000
Total energy: -237.565040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.565040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.754693 (E_RNA)
where:
Base-Base interactions energy: -145.301
where: short stacking energy: -67.929
Base-Backbone interact. energy: -0.426
local terms energy: -92.027265
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -252.559576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.559576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.630137 (E_RNA)
where:
Base-Base interactions energy: -174.339
where: short stacking energy: -93.484
Base-Backbone interact. energy: -0.133
local terms energy: -78.158052
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.071 (S_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: 88
Temperature: 1.200000
Total energy: -243.764755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.764755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.829371 (E_RNA)
where:
Base-Base interactions energy: -150.206
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.035
local terms energy: -93.587832
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -230.823425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.823425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.844109 (E_RNA)
where:
Base-Base interactions energy: -144.505
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.171
local terms energy: -86.168815
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -228.560681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.560681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.217603 (E_RNA)
where:
Base-Base interactions energy: -145.606
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.031
local terms energy: -83.580617
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -229.245390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.245390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.296911 (E_RNA)
where:
Base-Base interactions energy: -149.182
where: short stacking energy: -56.247
Base-Backbone interact. energy: 0.313
local terms energy: -80.427338
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.052 (S_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: 89
Temperature: 0.900000
Total energy: -336.877668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.877668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.877668 (E_RNA)
where:
Base-Base interactions energy: -226.697
where: short stacking energy: -106.792
Base-Backbone interact. energy: -0.012
local terms energy: -110.168770
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -327.312527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.312527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.152054 (E_RNA)
where:
Base-Base interactions energy: -219.565
where: short stacking energy: -101.855
Base-Backbone interact. energy: -0.483
local terms energy: -108.103856
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -314.977494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.977494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.998018 (E_RNA)
where:
Base-Base interactions energy: -204.771
where: short stacking energy: -99.850
Base-Backbone interact. energy: -0.293
local terms energy: -109.934744
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.021 (S_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: 89
Temperature: 1.050000
Total energy: -320.579566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.579566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.010354 (E_RNA)
where:
Base-Base interactions energy: -214.681
where: short stacking energy: -94.100
Base-Backbone interact. energy: 0.418
local terms energy: -106.746700
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -28.477
Dist. restrs. and SS energy: 0.431 (S_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: 89
Temperature: 1.100000
Total energy: -266.057659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.057659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.084023 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -94.776
Base-Backbone interact. energy: -0.579
local terms energy: -99.524380
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -252.775270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.775270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.076549 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -84.794
Base-Backbone interact. energy: -0.069
local terms energy: -90.667083
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.301 (S_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: 89
Temperature: 1.200000
Total energy: -251.849108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.849108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.896360 (E_RNA)
where:
Base-Base interactions energy: -157.578
where: short stacking energy: -77.973
Base-Backbone interact. energy: -0.163
local terms energy: -94.156332
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -246.482294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.482294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.638662 (E_RNA)
where:
Base-Base interactions energy: -163.499
where: short stacking energy: -81.635
Base-Backbone interact. energy: -0.124
local terms energy: -83.015592
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -233.771250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.771250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.704885 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -82.155
Base-Backbone interact. energy: -0.024
local terms energy: -88.020939
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -211.770308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.770308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.046106 (E_RNA)
where:
Base-Base interactions energy: -140.552
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.397
local terms energy: -71.097621
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.276 (S_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: 90
Temperature: 0.900000
Total energy: -332.571829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.571829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.890815 (E_RNA)
where:
Base-Base interactions energy: -224.039
where: short stacking energy: -106.399
Base-Backbone interact. energy: 0.187
local terms energy: -109.039093
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -330.230581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.230581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.263661 (E_RNA)
where:
Base-Base interactions energy: -223.117
where: short stacking energy: -101.509
Base-Backbone interact. energy: 0.226
local terms energy: -107.372643
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -26.657
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -319.492154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.492154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.572105 (E_RNA)
where:
Base-Base interactions energy: -216.422
where: short stacking energy: -93.812
Base-Backbone interact. energy: -0.095
local terms energy: -103.054955
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -25.333
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -308.171565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.171565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.221761 (E_RNA)
where:
Base-Base interactions energy: -207.613
where: short stacking energy: -100.813
Base-Backbone interact. energy: -0.024
local terms energy: -100.585032
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -269.265908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.265908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.280537 (E_RNA)
where:
Base-Base interactions energy: -170.337
where: short stacking energy: -85.227
Base-Backbone interact. energy: 0.743
local terms energy: -99.686418
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -26.234
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -291.667013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.667013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.667013 (E_RNA)
where:
Base-Base interactions energy: -199.515
where: short stacking energy: -90.240
Base-Backbone interact. energy: -0.127
local terms energy: -92.024990
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -25.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -258.808078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.808078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.833664 (E_RNA)
where:
Base-Base interactions energy: -163.925
where: short stacking energy: -89.156
Base-Backbone interact. energy: -0.007
local terms energy: -94.901471
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -252.978668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.978668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.218419 (E_RNA)
where:
Base-Base interactions energy: -159.062
where: short stacking energy: -68.570
Base-Backbone interact. energy: 3.166
local terms energy: -97.322475
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -214.771529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.836679 (E_RNA)
where:
Base-Base interactions energy: -130.583
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.300
local terms energy: -83.954270
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -229.399310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.399310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.430326 (E_RNA)
where:
Base-Base interactions energy: -142.255
where: short stacking energy: -61.221
Base-Backbone interact. energy: -1.336
local terms energy: -85.839081
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.031 (S_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: 91
Temperature: 0.900000
Total energy: -327.331700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.331700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.333269 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -94.682
Base-Backbone interact. energy: -0.317
local terms energy: -101.960241
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -315.445600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.445600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.500677 (E_RNA)
where:
Base-Base interactions energy: -212.549
where: short stacking energy: -93.229
Base-Backbone interact. energy: -0.516
local terms energy: -102.435895
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -330.333366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.333366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.559526 (E_RNA)
where:
Base-Base interactions energy: -226.289
where: short stacking energy: -97.149
Base-Backbone interact. energy: -0.135
local terms energy: -104.134927
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.226 (S_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: 91
Temperature: 1.050000
Total energy: -261.531666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.531666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.531666 (E_RNA)
where:
Base-Base interactions energy: -160.262
where: short stacking energy: -80.119
Base-Backbone interact. energy: -0.083
local terms energy: -101.186799
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -273.682785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.682785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.488351 (E_RNA)
where:
Base-Base interactions energy: -177.896
where: short stacking energy: -93.696
Base-Backbone interact. energy: -0.341
local terms energy: -96.251559
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -25.162
Dist. restrs. and SS energy: 0.806 (S_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: 91
Temperature: 1.150000
Total energy: -267.445370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.445370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.446628 (E_RNA)
where:
Base-Base interactions energy: -174.709
where: short stacking energy: -86.857
Base-Backbone interact. energy: -1.101
local terms energy: -91.636427
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.001 (S_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: -296.558712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.558712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.571908 (E_RNA)
where:
Base-Base interactions energy: -199.896
where: short stacking energy: -94.536
Base-Backbone interact. energy: -0.087
local terms energy: -96.588301
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -24.840
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -259.842823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.842823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.859950 (E_RNA)
where:
Base-Base interactions energy: -162.296
where: short stacking energy: -89.929
Base-Backbone interact. energy: -0.024
local terms energy: -97.540218
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -222.910805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.910805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.051502 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.213
local terms energy: -82.823558
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -242.363189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.363189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.471557 (E_RNA)
where:
Base-Base interactions energy: -156.919
where: short stacking energy: -84.641
Base-Backbone interact. energy: -0.283
local terms energy: -85.269868
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.108 (S_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: 92
Temperature: 0.900000
Total energy: -334.848247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.848247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.971175 (E_RNA)
where:
Base-Base interactions energy: -230.114
where: short stacking energy: -106.841
Base-Backbone interact. energy: -0.520
local terms energy: -104.337421
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -320.530360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.530360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.530360 (E_RNA)
where:
Base-Base interactions energy: -214.057
where: short stacking energy: -100.869
Base-Backbone interact. energy: -0.985
local terms energy: -105.488517
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -320.320950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.320950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.320950 (E_RNA)
where:
Base-Base interactions energy: -204.252
where: short stacking energy: -98.845
Base-Backbone interact. energy: -0.002
local terms energy: -116.066936
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -30.549
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -277.791176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.791176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.791176 (E_RNA)
where:
Base-Base interactions energy: -174.329
where: short stacking energy: -87.332
Base-Backbone interact. energy: -0.392
local terms energy: -103.070464
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -270.506777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.506777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.722944 (E_RNA)
where:
Base-Base interactions energy: -171.282
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.004
local terms energy: -99.437675
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -26.285
Dist. restrs. and SS energy: 0.216 (S_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: 92
Temperature: 1.150000
Total energy: -278.704366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.704366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.268560 (E_RNA)
where:
Base-Base interactions energy: -180.410
where: short stacking energy: -85.636
Base-Backbone interact. energy: -0.106
local terms energy: -98.752782
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.564 (S_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: 92
Temperature: 1.200000
Total energy: -274.822289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.822289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.067471 (E_RNA)
where:
Base-Base interactions energy: -187.845
where: short stacking energy: -81.204
Base-Backbone interact. energy: -0.103
local terms energy: -87.119471
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -228.593983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.593983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.735188 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.055
local terms energy: -94.708027
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -242.278954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.278954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.442553 (E_RNA)
where:
Base-Base interactions energy: -160.311
where: short stacking energy: -71.554
Base-Backbone interact. energy: 1.235
local terms energy: -83.366725
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -217.053882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.053882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.053882 (E_RNA)
where:
Base-Base interactions energy: -140.978
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.895
local terms energy: -75.180185
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -14.848
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: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -327.405718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.405718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.461148 (E_RNA)
where:
Base-Base interactions energy: -222.821
where: short stacking energy: -102.257
Base-Backbone interact. energy: -0.214
local terms energy: -104.426445
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -325.425685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.425685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.856582 (E_RNA)
where:
Base-Base interactions energy: -213.102
where: short stacking energy: -93.714
Base-Backbone interact. energy: -0.196
local terms energy: -112.558621
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -28.715
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. 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: -309.857967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.857967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.002049 (E_RNA)
where:
Base-Base interactions energy: -197.701
where: short stacking energy: -87.426
Base-Backbone interact. energy: -0.571
local terms energy: -111.729507
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. 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: -271.974548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.974548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.052432 (E_RNA)
where:
Base-Base interactions energy: -179.004
where: short stacking energy: -80.075
Base-Backbone interact. energy: -0.516
local terms energy: -92.532178
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -260.890899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.890899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.071354 (E_RNA)
where:
Base-Base interactions energy: -157.651
where: short stacking energy: -86.951
Base-Backbone interact. energy: -0.401
local terms energy: -103.018867
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -27.076
Dist. restrs. and SS energy: 0.180 (S_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: 93
Temperature: 1.150000
Total energy: -268.301092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.301092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.047329 (E_RNA)
where:
Base-Base interactions energy: -175.073
where: short stacking energy: -80.327
Base-Backbone interact. energy: -0.230
local terms energy: -94.745064
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 1.746 (S_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: 93
Temperature: 1.200000
Total energy: -257.988221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.988221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.057709 (E_RNA)
where:
Base-Base interactions energy: -158.630
where: short stacking energy: -78.718
Base-Backbone interact. energy: -0.015
local terms energy: -99.412660
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -236.950812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.950812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.145824 (E_RNA)
where:
Base-Base interactions energy: -153.320
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.234
local terms energy: -83.591924
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -242.899253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.899253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.924277 (E_RNA)
where:
Base-Base interactions energy: -152.846
where: short stacking energy: -78.970
Base-Backbone interact. energy: 0.236
local terms energy: -90.313722
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -187.484930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.484930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.517880 (E_RNA)
where:
Base-Base interactions energy: -119.224
where: short stacking energy: -47.274
Base-Backbone interact. energy: -0.374
local terms energy: -67.919352
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -335.795580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.795580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.877353 (E_RNA)
where:
Base-Base interactions energy: -219.355
where: short stacking energy: -103.173
Base-Backbone interact. energy: -0.054
local terms energy: -116.468148
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.082 (S_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: -336.411951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.411951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.456390 (E_RNA)
where:
Base-Base interactions energy: -227.370
where: short stacking energy: -102.473
Base-Backbone interact. energy: -0.443
local terms energy: -108.642668
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -26.066
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -283.767862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.767862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.963569 (E_RNA)
where:
Base-Base interactions energy: -168.703
where: short stacking energy: -92.799
Base-Backbone interact. energy: -1.528
local terms energy: -113.732734
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. 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: -304.457803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.457803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.457803 (E_RNA)
where:
Base-Base interactions energy: -210.254
where: short stacking energy: -75.573
Base-Backbone interact. energy: -0.742
local terms energy: -93.461629
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -308.363368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.363368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.363368 (E_RNA)
where:
Base-Base interactions energy: -201.798
where: short stacking energy: -98.026
Base-Backbone interact. energy: -0.109
local terms energy: -106.456113
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -258.248393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.248393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.338574 (E_RNA)
where:
Base-Base interactions energy: -172.261
where: short stacking energy: -81.703
Base-Backbone interact. energy: -0.446
local terms energy: -85.632095
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.090 (S_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: -254.096603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.096603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.267805 (E_RNA)
where:
Base-Base interactions energy: -147.387
where: short stacking energy: -78.616
Base-Backbone interact. energy: -0.823
local terms energy: -106.058287
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -223.738185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.738185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.820682 (E_RNA)
where:
Base-Base interactions energy: -131.167
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.146
local terms energy: -92.507302
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -238.781362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.781362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.870655 (E_RNA)
where:
Base-Base interactions energy: -151.068
where: short stacking energy: -70.573
Base-Backbone interact. energy: 0.342
local terms energy: -88.145378
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -192.844154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.844154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.868523 (E_RNA)
where:
Base-Base interactions energy: -137.325
where: short stacking energy: -53.275
Base-Backbone interact. energy: 1.424
local terms energy: -56.967641
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -337.200798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.200798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.200798 (E_RNA)
where:
Base-Base interactions energy: -226.370
where: short stacking energy: -108.821
Base-Backbone interact. energy: -0.104
local terms energy: -110.726592
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -29.704
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -333.111391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.111391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.270437 (E_RNA)
where:
Base-Base interactions energy: -225.553
where: short stacking energy: -101.561
Base-Backbone interact. energy: -0.156
local terms energy: -107.561845
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -25.247
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -290.834110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.834110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.864043 (E_RNA)
where:
Base-Base interactions energy: -197.096
where: short stacking energy: -94.523
Base-Backbone interact. energy: -0.122
local terms energy: -93.646016
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -317.539335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.539335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.745874 (E_RNA)
where:
Base-Base interactions energy: -210.288
where: short stacking energy: -100.590
Base-Backbone interact. energy: -0.291
local terms energy: -107.166849
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -31.303
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -284.780706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.780706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.582484 (E_RNA)
where:
Base-Base interactions energy: -184.204
where: short stacking energy: -95.937
Base-Backbone interact. energy: -0.210
local terms energy: -102.168102
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -24.891
Dist. restrs. and SS energy: 1.802 (S_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: -268.559898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.559898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.645904 (E_RNA)
where:
Base-Base interactions energy: -166.188
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.149
local terms energy: -102.308811
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.086 (S_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: 95
Temperature: 1.200000
Total energy: -269.382929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.382929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.441700 (E_RNA)
where:
Base-Base interactions energy: -173.833
where: short stacking energy: -78.192
Base-Backbone interact. energy: -0.222
local terms energy: -95.386979
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -235.508456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.508456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.616703 (E_RNA)
where:
Base-Base interactions energy: -155.812
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.348
local terms energy: -79.457294
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -213.377245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.397431 (E_RNA)
where:
Base-Base interactions energy: -128.709
where: short stacking energy: -62.860
Base-Backbone interact. energy: -0.650
local terms energy: -84.038935
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -197.910444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.910444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.281600 (E_RNA)
where:
Base-Base interactions energy: -123.218
where: short stacking energy: -52.436
Base-Backbone interact. energy: 0.056
local terms energy: -75.118655
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -336.396036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.396036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.501266 (E_RNA)
where:
Base-Base interactions energy: -225.982
where: short stacking energy: -101.620
Base-Backbone interact. energy: -0.047
local terms energy: -110.472469
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 0.105 (S_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: 96
Temperature: 0.950000
Total energy: -330.958002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.958002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.984510 (E_RNA)
where:
Base-Base interactions energy: -217.391
where: short stacking energy: -101.105
Base-Backbone interact. energy: -0.202
local terms energy: -113.391735
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -325.172062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.172062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.268651 (E_RNA)
where:
Base-Base interactions energy: -222.770
where: short stacking energy: -107.932
Base-Backbone interact. energy: 0.134
local terms energy: -102.632168
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -288.982233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.982233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.031036 (E_RNA)
where:
Base-Base interactions energy: -191.843
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.404
local terms energy: -96.783174
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -292.300555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.300555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.388876 (E_RNA)
where:
Base-Base interactions energy: -190.869
where: short stacking energy: -83.076
Base-Backbone interact. energy: -0.327
local terms energy: -101.193204
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -251.703927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.703927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.927186 (E_RNA)
where:
Base-Base interactions energy: -157.623
where: short stacking energy: -65.123
Base-Backbone interact. energy: -0.708
local terms energy: -93.596514
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -270.484762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.484762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.499672 (E_RNA)
where:
Base-Base interactions energy: -180.843
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.848
local terms energy: -88.808317
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -247.628415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.628415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.916444 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -82.438
Base-Backbone interact. energy: -0.338
local terms energy: -87.432966
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -240.367980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.367980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.290806 (E_RNA)
where:
Base-Base interactions energy: -154.476
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.369
local terms energy: -86.446089
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -177.747134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.747134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.089797 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -56.166
Base-Backbone interact. energy: 2.816
local terms energy: -64.982910
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -340.280018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.280018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.488500 (E_RNA)
where:
Base-Base interactions energy: -225.763
where: short stacking energy: -111.813
Base-Backbone interact. energy: -0.285
local terms energy: -114.440558
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -32.514
Dist. restrs. and SS energy: 0.208 (S_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: 97
Temperature: 0.950000
Total energy: -317.661069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.661069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.711792 (E_RNA)
where:
Base-Base interactions energy: -219.970
where: short stacking energy: -104.461
Base-Backbone interact. energy: -0.263
local terms energy: -97.478852
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -326.629867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.629867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.655094 (E_RNA)
where:
Base-Base interactions energy: -211.870
where: short stacking energy: -97.512
Base-Backbone interact. energy: -0.488
local terms energy: -114.296505
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -31.747
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -301.530936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.530936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.594615 (E_RNA)
where:
Base-Base interactions energy: -212.893
where: short stacking energy: -87.586
Base-Backbone interact. energy: -0.272
local terms energy: -88.429718
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -260.690695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.690695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.918758 (E_RNA)
where:
Base-Base interactions energy: -160.523
where: short stacking energy: -72.586
Base-Backbone interact. energy: -0.789
local terms energy: -99.606008
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.228 (S_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: 97
Temperature: 1.150000
Total energy: -242.832694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.832694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.832694 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.940
local terms energy: -94.457146
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -15.837
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -270.046421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.046421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.222909 (E_RNA)
where:
Base-Base interactions energy: -180.156
where: short stacking energy: -84.810
Base-Backbone interact. energy: -0.843
local terms energy: -89.223817
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -256.891411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.891411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.044479 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -82.172
Base-Backbone interact. energy: 1.619
local terms energy: -97.065296
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -227.990201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.990201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.090280 (E_RNA)
where:
Base-Base interactions energy: -137.780
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.178
local terms energy: -90.132464
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -215.741313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.741313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.874410 (E_RNA)
where:
Base-Base interactions energy: -135.986
where: short stacking energy: -59.851
Base-Backbone interact. energy: 0.486
local terms energy: -80.374036
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.133 (S_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: 98
Temperature: 0.900000
Total energy: -325.658218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.658218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.814365 (E_RNA)
where:
Base-Base interactions energy: -212.354
where: short stacking energy: -99.416
Base-Backbone interact. energy: -0.357
local terms energy: -113.103334
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -320.111279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.111279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.228960 (E_RNA)
where:
Base-Base interactions energy: -211.995
where: short stacking energy: -100.216
Base-Backbone interact. energy: -0.087
local terms energy: -108.146738
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -339.109961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.109961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.109961 (E_RNA)
where:
Base-Base interactions energy: -218.595
where: short stacking energy: -101.836
Base-Backbone interact. energy: -0.417
local terms energy: -120.098644
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -33.855
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -313.847412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.847412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.074762 (E_RNA)
where:
Base-Base interactions energy: -213.677
where: short stacking energy: -96.540
Base-Backbone interact. energy: -0.299
local terms energy: -100.099116
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -282.460528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.460528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.477453 (E_RNA)
where:
Base-Base interactions energy: -176.819
where: short stacking energy: -84.436
Base-Backbone interact. energy: -0.542
local terms energy: -105.116085
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.017 (S_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: 98
Temperature: 1.150000
Total energy: -244.531354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.531354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.571756 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.408
local terms energy: -97.126715
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.040 (S_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: 98
Temperature: 1.200000
Total energy: -256.530487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.530487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.559641 (E_RNA)
where:
Base-Base interactions energy: -159.003
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.203
local terms energy: -97.353353
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -244.674530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.674530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.759144 (E_RNA)
where:
Base-Base interactions energy: -155.551
where: short stacking energy: -77.588
Base-Backbone interact. energy: -0.203
local terms energy: -89.005596
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -226.410950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.410950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.477803 (E_RNA)
where:
Base-Base interactions energy: -144.739
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.671
local terms energy: -81.067704
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -228.606757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.606757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.675266 (E_RNA)
where:
Base-Base interactions energy: -142.502
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.641
local terms energy: -85.531896
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.069 (S_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: 99
Temperature: 0.900000
Total energy: -329.424733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.424733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.456758 (E_RNA)
where:
Base-Base interactions energy: -220.304
where: short stacking energy: -98.071
Base-Backbone interact. energy: -0.222
local terms energy: -108.931220
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -332.428757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.428757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.428757 (E_RNA)
where:
Base-Base interactions energy: -224.334
where: short stacking energy: -105.573
Base-Backbone interact. energy: -0.426
local terms energy: -107.669393
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -23.806
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -25.418
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: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -327.392296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.392296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.392296 (E_RNA)
where:
Base-Base interactions energy: -210.339
where: short stacking energy: -97.749
Base-Backbone interact. energy: -0.079
local terms energy: -116.974143
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -329.109225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.109225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.118206 (E_RNA)
where:
Base-Base interactions energy: -227.612
where: short stacking energy: -113.458
Base-Backbone interact. energy: -0.054
local terms energy: -101.451984
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -32.583
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -310.491010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.491010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.541566 (E_RNA)
where:
Base-Base interactions energy: -213.626
where: short stacking energy: -92.853
Base-Backbone interact. energy: -0.524
local terms energy: -96.391379
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.051 (S_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: 99
Temperature: 1.150000
Total energy: -259.978523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.978523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.011734 (E_RNA)
where:
Base-Base interactions energy: -174.862
where: short stacking energy: -85.933
Base-Backbone interact. energy: -0.194
local terms energy: -84.955838
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -235.005726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.005726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.074130 (E_RNA)
where:
Base-Base interactions energy: -146.934
where: short stacking energy: -68.504
Base-Backbone interact. energy: -0.228
local terms energy: -87.912730
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -242.168190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.168190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.190426 (E_RNA)
where:
Base-Base interactions energy: -146.835
where: short stacking energy: -68.914
Base-Backbone interact. energy: -1.604
local terms energy: -93.751502
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -219.420417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.420417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.482355 (E_RNA)
where:
Base-Base interactions energy: -148.711
where: short stacking energy: -54.930
Base-Backbone interact. energy: 0.266
local terms energy: -71.037394
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -230.336625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.336625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.469084 (E_RNA)
where:
Base-Base interactions energy: -147.459
where: short stacking energy: -75.632
Base-Backbone interact. energy: -0.391
local terms energy: -82.618580
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.132 (S_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: 100
Temperature: 0.900000
Total energy: -335.022700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.022700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.203910 (E_RNA)
where:
Base-Base interactions energy: -220.843
where: short stacking energy: -105.547
Base-Backbone interact. energy: -0.182
local terms energy: -114.178008
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -318.078550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.078550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.093774 (E_RNA)
where:
Base-Base interactions energy: -219.489
where: short stacking energy: -98.454
Base-Backbone interact. energy: -0.007
local terms energy: -98.598018
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -318.128351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.128351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.309790 (E_RNA)
where:
Base-Base interactions energy: -219.888
where: short stacking energy: -106.356
Base-Backbone interact. energy: 1.388
local terms energy: -99.809960
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -30.404
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -309.258829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.258829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.350763 (E_RNA)
where:
Base-Base interactions energy: -205.858
where: short stacking energy: -100.418
Base-Backbone interact. energy: -0.397
local terms energy: -103.096038
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -29.024
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -258.615654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.615654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.621820 (E_RNA)
where:
Base-Base interactions energy: -177.334
where: short stacking energy: -89.028
Base-Backbone interact. energy: 1.922
local terms energy: -83.209134
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -285.911707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.911707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.209196 (E_RNA)
where:
Base-Base interactions energy: -187.075
where: short stacking energy: -84.051
Base-Backbone interact. energy: -0.262
local terms energy: -98.872651
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -251.887124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.887124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.900250 (E_RNA)
where:
Base-Base interactions energy: -168.749
where: short stacking energy: -81.238
Base-Backbone interact. energy: 0.190
local terms energy: -83.341489
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -227.871123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.871123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.892552 (E_RNA)
where:
Base-Base interactions energy: -147.134
where: short stacking energy: -68.322
Base-Backbone interact. energy: 0.762
local terms energy: -81.520070
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -202.552972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.552972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.657649 (E_RNA)
where:
Base-Base interactions energy: -129.346
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.332
local terms energy: -72.979863
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -218.223250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.223250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.236056 (E_RNA)
where:
Base-Base interactions energy: -143.686
where: short stacking energy: -57.581
Base-Backbone interact. energy: 2.448
local terms energy: -76.998458
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.013 (S_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: 101
Temperature: 0.900000
Total energy: -324.889986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.889986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.911582 (E_RNA)
where:
Base-Base interactions energy: -209.010
where: short stacking energy: -96.612
Base-Backbone interact. energy: -0.225
local terms energy: -115.676401
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -28.699
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -334.337761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.337761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.460449 (E_RNA)
where:
Base-Base interactions energy: -229.539
where: short stacking energy: -100.789
Base-Backbone interact. energy: 0.548
local terms energy: -105.468672
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -29.657
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -314.481357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.481357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.524932 (E_RNA)
where:
Base-Base interactions energy: -209.861
where: short stacking energy: -105.687
Base-Backbone interact. energy: -0.028
local terms energy: -104.635875
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -285.314797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.314797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.362240 (E_RNA)
where:
Base-Base interactions energy: -182.111
where: short stacking energy: -86.402
Base-Backbone interact. energy: -1.239
local terms energy: -102.012384
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -256.427667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.427667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.427667 (E_RNA)
where:
Base-Base interactions energy: -160.996
where: short stacking energy: -79.909
Base-Backbone interact. energy: -0.141
local terms energy: -95.289899
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -18.550
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: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -299.215990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.215990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.334660 (E_RNA)
where:
Base-Base interactions energy: -194.987
where: short stacking energy: -85.012
Base-Backbone interact. energy: -0.200
local terms energy: -104.147311
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -245.337859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.337859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.583026 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.494
local terms energy: -98.736529
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -213.386663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.386663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.460704 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -65.968
Base-Backbone interact. energy: 0.290
local terms energy: -84.636044
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. 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: -219.600584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.600584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.699142 (E_RNA)
where:
Base-Base interactions energy: -133.397
where: short stacking energy: -63.375
Base-Backbone interact. energy: -0.213
local terms energy: -86.089612
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -215.411520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.411520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.453089 (E_RNA)
where:
Base-Base interactions energy: -135.681
where: short stacking energy: -65.926
Base-Backbone interact. energy: 3.278
local terms energy: -83.050123
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -336.205479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.205479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.262697 (E_RNA)
where:
Base-Base interactions energy: -224.482
where: short stacking energy: -109.008
Base-Backbone interact. energy: -0.023
local terms energy: -111.758219
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -28.412
Dist. restrs. and SS energy: 0.057 (S_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: 102
Temperature: 0.950000
Total energy: -330.657622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.657622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.756892 (E_RNA)
where:
Base-Base interactions energy: -217.092
where: short stacking energy: -102.284
Base-Backbone interact. energy: -0.292
local terms energy: -113.372668
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -300.926203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.926203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.751499 (E_RNA)
where:
Base-Base interactions energy: -200.772
where: short stacking energy: -93.854
Base-Backbone interact. energy: 0.992
local terms energy: -101.971018
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -276.774881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.774881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.774881 (E_RNA)
where:
Base-Base interactions energy: -176.150
where: short stacking energy: -86.744
Base-Backbone interact. energy: -0.225
local terms energy: -100.400157
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -24.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -297.741129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.741129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.812379 (E_RNA)
where:
Base-Base interactions energy: -207.749
where: short stacking energy: -97.939
Base-Backbone interact. energy: -0.396
local terms energy: -89.667071
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.071 (S_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: 102
Temperature: 1.150000
Total energy: -246.359732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.359732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.438666 (E_RNA)
where:
Base-Base interactions energy: -161.434
where: short stacking energy: -69.626
Base-Backbone interact. energy: -0.393
local terms energy: -84.611851
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.079 (S_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: 102
Temperature: 1.200000
Total energy: -236.878492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.878492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.954456 (E_RNA)
where:
Base-Base interactions energy: -155.465
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.048
local terms energy: -81.440888
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -231.545343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.545343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.579500 (E_RNA)
where:
Base-Base interactions energy: -155.280
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.806
local terms energy: -75.493088
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -211.479188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.479188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.511212 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.081
local terms energy: -70.929273
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.032 (S_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: -216.021913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.124560 (E_RNA)
where:
Base-Base interactions energy: -134.167
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.227
local terms energy: -81.731117
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -329.477413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.477413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.551052 (E_RNA)
where:
Base-Base interactions energy: -219.763
where: short stacking energy: -98.523
Base-Backbone interact. energy: -0.582
local terms energy: -109.206150
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -321.147940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.147940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.779711 (E_RNA)
where:
Base-Base interactions energy: -209.052
where: short stacking energy: -102.587
Base-Backbone interact. energy: -0.161
local terms energy: -113.566913
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -325.585969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.585969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.585969 (E_RNA)
where:
Base-Base interactions energy: -220.514
where: short stacking energy: -104.901
Base-Backbone interact. energy: -0.130
local terms energy: -104.942413
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -30.540
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -291.792418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.792418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.946054 (E_RNA)
where:
Base-Base interactions energy: -192.460
where: short stacking energy: -84.637
Base-Backbone interact. energy: -0.256
local terms energy: -99.229662
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. 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: -299.048661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.048661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.051600 (E_RNA)
where:
Base-Base interactions energy: -195.636
where: short stacking energy: -98.744
Base-Backbone interact. energy: -0.722
local terms energy: -102.693590
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -28.139
Dist. restrs. and SS energy: 0.003 (S_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: 103
Temperature: 1.150000
Total energy: -239.632813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.632813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.702361 (E_RNA)
where:
Base-Base interactions energy: -150.207
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.076
local terms energy: -89.419411
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.070 (S_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: 103
Temperature: 1.200000
Total energy: -243.231941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.231941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.269965 (E_RNA)
where:
Base-Base interactions energy: -159.509
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.217
local terms energy: -83.544065
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -220.767202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.767202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.767202 (E_RNA)
where:
Base-Base interactions energy: -136.400
where: short stacking energy: -68.038
Base-Backbone interact. energy: -0.488
local terms energy: -83.878823
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -19.703
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: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -205.413099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.413099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.448573 (E_RNA)
where:
Base-Base interactions energy: -122.994
where: short stacking energy: -54.390
Base-Backbone interact. energy: -0.083
local terms energy: -82.371092
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -5.292
Dist. restrs. and SS energy: 0.035 (S_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: -208.927299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.927299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045849 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.265
local terms energy: -73.148120
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -344.807367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.807367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.839224 (E_RNA)
where:
Base-Base interactions energy: -237.298
where: short stacking energy: -111.372
Base-Backbone interact. energy: -0.028
local terms energy: -107.513226
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -31.798
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -327.227987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.227987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.108604 (E_RNA)
where:
Base-Base interactions energy: -216.945
where: short stacking energy: -102.803
Base-Backbone interact. energy: -0.459
local terms energy: -110.705089
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -317.769316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.769316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.769316 (E_RNA)
where:
Base-Base interactions energy: -218.158
where: short stacking energy: -96.392
Base-Backbone interact. energy: -0.054
local terms energy: -99.557649
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -297.045918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.045918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.144890 (E_RNA)
where:
Base-Base interactions energy: -188.687
where: short stacking energy: -88.566
Base-Backbone interact. energy: -0.826
local terms energy: -107.631670
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -26.503
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. 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: -292.252986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.252986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.258803 (E_RNA)
where:
Base-Base interactions energy: -192.449
where: short stacking energy: -84.141
Base-Backbone interact. energy: -0.205
local terms energy: -99.604758
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.006 (S_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: 104
Temperature: 1.150000
Total energy: -246.213264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.213264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.505537 (E_RNA)
where:
Base-Base interactions energy: -158.182
where: short stacking energy: -82.555
Base-Backbone interact. energy: 0.718
local terms energy: -89.041714
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.292 (S_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: 104
Temperature: 1.200000
Total energy: -243.306630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.306630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.351563 (E_RNA)
where:
Base-Base interactions energy: -157.113
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.228
local terms energy: -86.011186
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -231.971317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.971317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.116842 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -72.634
Base-Backbone interact. energy: -0.185
local terms energy: -89.917702
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. 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: -241.132976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.132976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.153973 (E_RNA)
where:
Base-Base interactions energy: -153.155
where: short stacking energy: -77.224
Base-Backbone interact. energy: -0.245
local terms energy: -87.753939
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -211.956262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.956262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.975601 (E_RNA)
where:
Base-Base interactions energy: -131.178
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.039
local terms energy: -80.758582
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -337.177471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.177471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.233944 (E_RNA)
where:
Base-Base interactions energy: -231.271
where: short stacking energy: -109.051
Base-Backbone interact. energy: -1.231
local terms energy: -104.732734
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -29.210
Dist. restrs. and SS energy: 0.056 (S_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: 105
Temperature: 0.950000
Total energy: -325.932729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.932729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.019487 (E_RNA)
where:
Base-Base interactions energy: -221.830
where: short stacking energy: -104.234
Base-Backbone interact. energy: -0.160
local terms energy: -104.029825
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -322.297645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.297645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.797946 (E_RNA)
where:
Base-Base interactions energy: -217.364
where: short stacking energy: -109.463
Base-Backbone interact. energy: 0.095
local terms energy: -106.529142
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -32.759
Dist. restrs. and SS energy: 1.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -309.829989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.829989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.830462 (E_RNA)
where:
Base-Base interactions energy: -209.250
where: short stacking energy: -98.783
Base-Backbone interact. energy: -0.198
local terms energy: -100.382596
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -25.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -259.515348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.515348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.549312 (E_RNA)
where:
Base-Base interactions energy: -166.868
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.102
local terms energy: -92.578527
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.034 (S_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: 105
Temperature: 1.150000
Total energy: -278.584357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.584357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.654408 (E_RNA)
where:
Base-Base interactions energy: -171.997
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.115
local terms energy: -106.542367
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 0.070 (S_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: 105
Temperature: 1.200000
Total energy: -231.570042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.570042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.730052 (E_RNA)
where:
Base-Base interactions energy: -137.160
where: short stacking energy: -64.321
Base-Backbone interact. energy: -1.744
local terms energy: -92.825514
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -242.318775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.318775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.384584 (E_RNA)
where:
Base-Base interactions energy: -149.131
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.175
local terms energy: -93.078748
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -241.792229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.792229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.962373 (E_RNA)
where:
Base-Base interactions energy: -153.749
where: short stacking energy: -75.971
Base-Backbone interact. energy: -0.188
local terms energy: -88.026004
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -231.872220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.872220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.934579 (E_RNA)
where:
Base-Base interactions energy: -144.082
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.220
local terms energy: -87.632473
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.062 (S_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: 106
Temperature: 0.900000
Total energy: -328.328020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.328020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.573328 (E_RNA)
where:
Base-Base interactions energy: -218.033
where: short stacking energy: -108.051
Base-Backbone interact. energy: -0.117
local terms energy: -110.423400
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -29.280
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -331.165945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.165945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.321052 (E_RNA)
where:
Base-Base interactions energy: -224.804
where: short stacking energy: -100.835
Base-Backbone interact. energy: -0.194
local terms energy: -106.322401
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -318.643751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.643751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.416802 (E_RNA)
where:
Base-Base interactions energy: -210.949
where: short stacking energy: -107.683
Base-Backbone interact. energy: -0.010
local terms energy: -108.457227
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -294.471564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.471564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.233890 (E_RNA)
where:
Base-Base interactions energy: -202.998
where: short stacking energy: -90.841
Base-Backbone interact. energy: -0.025
local terms energy: -92.210971
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.762 (S_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: 106
Temperature: 1.100000
Total energy: -272.276615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.276615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.366040 (E_RNA)
where:
Base-Base interactions energy: -173.214
where: short stacking energy: -85.647
Base-Backbone interact. energy: 1.078
local terms energy: -100.230057
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.089 (S_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: -264.447040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.447040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.450087 (E_RNA)
where:
Base-Base interactions energy: -172.149
where: short stacking energy: -77.045
Base-Backbone interact. energy: -0.449
local terms energy: -91.852257
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -25.197
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -231.988750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.988750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.027898 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -72.768
Base-Backbone interact. energy: 0.235
local terms energy: -83.392219
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.039 (S_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: 106
Temperature: 1.250000
Total energy: -220.582089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.582089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.717481 (E_RNA)
where:
Base-Base interactions energy: -141.149
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.024
local terms energy: -79.543771
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -232.144941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.144941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.330836 (E_RNA)
where:
Base-Base interactions energy: -151.859
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.115
local terms energy: -80.357110
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -227.195051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.195051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.260066 (E_RNA)
where:
Base-Base interactions energy: -157.454
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.199
local terms energy: -69.606295
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -11.805
Dist. restrs. and SS energy: 0.065 (S_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: 107
Temperature: 0.900000
Total energy: -335.582994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.582994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.919035 (E_RNA)
where:
Base-Base interactions energy: -225.369
where: short stacking energy: -111.555
Base-Backbone interact. energy: -0.267
local terms energy: -110.283126
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -330.884955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.884955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.215934 (E_RNA)
where:
Base-Base interactions energy: -217.780
where: short stacking energy: -105.985
Base-Backbone interact. energy: -0.085
local terms energy: -115.350552
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -328.888094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.888094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.182176 (E_RNA)
where:
Base-Base interactions energy: -220.362
where: short stacking energy: -108.578
Base-Backbone interact. energy: -0.076
local terms energy: -108.744186
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -29.837
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -307.183405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.183405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.584187 (E_RNA)
where:
Base-Base interactions energy: -213.226
where: short stacking energy: -95.165
Base-Backbone interact. energy: -0.443
local terms energy: -94.915393
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 1.401 (S_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: 107
Temperature: 1.100000
Total energy: -264.200985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.200985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.297094 (E_RNA)
where:
Base-Base interactions energy: -168.699
where: short stacking energy: -88.617
Base-Backbone interact. energy: -0.241
local terms energy: -95.357426
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.096 (S_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: 107
Temperature: 1.150000
Total energy: -270.478760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.478760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.534467 (E_RNA)
where:
Base-Base interactions energy: -176.633
where: short stacking energy: -75.739
Base-Backbone interact. energy: -0.221
local terms energy: -93.680794
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.056 (S_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: 107
Temperature: 1.200000
Total energy: -234.542987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.542987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.700478 (E_RNA)
where:
Base-Base interactions energy: -145.043
where: short stacking energy: -59.308
Base-Backbone interact. energy: 0.120
local terms energy: -89.777103
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -266.583305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.583305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.653686 (E_RNA)
where:
Base-Base interactions energy: -168.716
where: short stacking energy: -73.561
Base-Backbone interact. energy: -0.007
local terms energy: -97.930534
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -204.690523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.690523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.693314 (E_RNA)
where:
Base-Base interactions energy: -137.969
where: short stacking energy: -69.019
Base-Backbone interact. energy: -0.409
local terms energy: -66.315052
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -2.140
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -216.727967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.727967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.871388 (E_RNA)
where:
Base-Base interactions energy: -141.791
where: short stacking energy: -67.492
Base-Backbone interact. energy: -0.459
local terms energy: -74.621690
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -330.410597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.420125 (E_RNA)
where:
Base-Base interactions energy: -210.932
where: short stacking energy: -102.123
Base-Backbone interact. energy: -0.071
local terms energy: -119.417064
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.010 (S_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: 108
Temperature: 0.950000
Total energy: -323.099178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.099178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.176025 (E_RNA)
where:
Base-Base interactions energy: -225.712
where: short stacking energy: -93.940
Base-Backbone interact. energy: 0.054
local terms energy: -97.518727
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -319.700176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.700176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.447318 (E_RNA)
where:
Base-Base interactions energy: -215.963
where: short stacking energy: -103.463
Base-Backbone interact. energy: -0.165
local terms energy: -104.319603
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -30.472
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -294.400737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.400737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.405903 (E_RNA)
where:
Base-Base interactions energy: -195.465
where: short stacking energy: -89.528
Base-Backbone interact. energy: -0.970
local terms energy: -97.970825
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.005 (S_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: 108
Temperature: 1.100000
Total energy: -271.148527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.148527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.319961 (E_RNA)
where:
Base-Base interactions energy: -165.781
where: short stacking energy: -94.653
Base-Backbone interact. energy: -0.081
local terms energy: -105.457505
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.171 (S_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: 108
Temperature: 1.150000
Total energy: -235.560898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.560898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.560898 (E_RNA)
where:
Base-Base interactions energy: -147.864
where: short stacking energy: -74.232
Base-Backbone interact. energy: 0.239
local terms energy: -87.935876
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -19.351
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: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -254.574206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.574206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.766752 (E_RNA)
where:
Base-Base interactions energy: -155.195
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.255
local terms energy: -99.316313
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -227.801278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.801278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.801278 (E_RNA)
where:
Base-Base interactions energy: -148.944
where: short stacking energy: -62.178
Base-Backbone interact. energy: -1.012
local terms energy: -77.845773
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -217.671832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.671832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.989814 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -53.169
Base-Backbone interact. energy: -0.558
local terms energy: -76.482564
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -221.416083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.416083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454057 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.120
local terms energy: -87.709743
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -339.069517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.069517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.197982 (E_RNA)
where:
Base-Base interactions energy: -225.499
where: short stacking energy: -109.248
Base-Backbone interact. energy: -0.239
local terms energy: -113.459707
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.128 (S_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: 109
Temperature: 0.950000
Total energy: -327.190991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.190991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.362868 (E_RNA)
where:
Base-Base interactions energy: -215.888
where: short stacking energy: -101.077
Base-Backbone interact. energy: -0.581
local terms energy: -110.893113
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -31.294
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -317.218238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.218238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.370329 (E_RNA)
where:
Base-Base interactions energy: -213.768
where: short stacking energy: -91.302
Base-Backbone interact. energy: -0.154
local terms energy: -105.448216
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -332.777639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.777639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.791148 (E_RNA)
where:
Base-Base interactions energy: -219.527
where: short stacking energy: -103.180
Base-Backbone interact. energy: -0.007
local terms energy: -113.256921
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -256.462716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.462716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.743421 (E_RNA)
where:
Base-Base interactions energy: -164.077
where: short stacking energy: -71.329
Base-Backbone interact. energy: -0.122
local terms energy: -92.544330
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -284.399271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.399271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.489291 (E_RNA)
where:
Base-Base interactions energy: -179.970
where: short stacking energy: -85.891
Base-Backbone interact. energy: 1.013
local terms energy: -105.532091
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.090 (S_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: 109
Temperature: 1.200000
Total energy: -246.460606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.460606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.724977 (E_RNA)
where:
Base-Base interactions energy: -155.540
where: short stacking energy: -77.297
Base-Backbone interact. energy: -0.763
local terms energy: -90.422485
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -247.008087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.008087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.057586 (E_RNA)
where:
Base-Base interactions energy: -161.193
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.319
local terms energy: -85.545644
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -214.185234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.185234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.639276 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.008
local terms energy: -83.784987
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -215.627303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.627303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.762506 (E_RNA)
where:
Base-Base interactions energy: -135.956
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.106
local terms energy: -79.701275
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.135 (S_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: 110
Temperature: 0.900000
Total energy: -329.437016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.437016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.445663 (E_RNA)
where:
Base-Base interactions energy: -221.820
where: short stacking energy: -95.777
Base-Backbone interact. energy: -3.703
local terms energy: -103.922819
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -24.912
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -325.281817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.281817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.281817 (E_RNA)
where:
Base-Base interactions energy: -222.711
where: short stacking energy: -109.866
Base-Backbone interact. energy: -0.040
local terms energy: -102.531777
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -30.269
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -315.955615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.955615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.968617 (E_RNA)
where:
Base-Base interactions energy: -213.331
where: short stacking energy: -92.596
Base-Backbone interact. energy: -0.148
local terms energy: -102.489300
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -309.533995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.533995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.525358 (E_RNA)
where:
Base-Base interactions energy: -203.160
where: short stacking energy: -91.400
Base-Backbone interact. energy: -0.209
local terms energy: -108.156267
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -29.155
Dist. restrs. and SS energy: 1.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -261.267503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.267503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.267503 (E_RNA)
where:
Base-Base interactions energy: -172.724
where: short stacking energy: -74.220
Base-Backbone interact. energy: 0.823
local terms energy: -89.367135
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -264.527411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.527411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.816024 (E_RNA)
where:
Base-Base interactions energy: -166.971
where: short stacking energy: -75.402
Base-Backbone interact. energy: -0.231
local terms energy: -97.614269
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -249.878337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.878337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.890142 (E_RNA)
where:
Base-Base interactions energy: -156.609
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.099
local terms energy: -93.182176
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -225.871996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.072493 (E_RNA)
where:
Base-Base interactions energy: -151.099
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.566
local terms energy: -74.408130
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -223.422394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.422394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.440437 (E_RNA)
where:
Base-Base interactions energy: -142.121
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.246
local terms energy: -81.073634
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -223.761983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.761983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.829341 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.268
local terms energy: -88.870389
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.067 (S_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: 111
Temperature: 0.900000
Total energy: -335.787141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.787141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.935247 (E_RNA)
where:
Base-Base interactions energy: -221.126
where: short stacking energy: -99.609
Base-Backbone interact. energy: -1.092
local terms energy: -113.717215
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -329.958491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.958491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.958491 (E_RNA)
where:
Base-Base interactions energy: -226.679
where: short stacking energy: -92.444
Base-Backbone interact. energy: -0.297
local terms energy: -102.982854
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -307.970404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.970404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.608672 (E_RNA)
where:
Base-Base interactions energy: -213.135
where: short stacking energy: -105.731
Base-Backbone interact. energy: -0.002
local terms energy: -97.470895
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 2.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -317.304778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.304778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.277720 (E_RNA)
where:
Base-Base interactions energy: -210.025
where: short stacking energy: -102.997
Base-Backbone interact. energy: 0.940
local terms energy: -109.192699
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -31.091
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -274.335923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.335923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.344159 (E_RNA)
where:
Base-Base interactions energy: -173.696
where: short stacking energy: -80.910
Base-Backbone interact. energy: -0.186
local terms energy: -100.462232
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -23.793
Dist. restrs. and SS energy: 0.008 (S_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: 111
Temperature: 1.150000
Total energy: -250.769509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.769509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.800471 (E_RNA)
where:
Base-Base interactions energy: -148.700
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.321
local terms energy: -101.779806
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. 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: -244.426205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.426205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.464775 (E_RNA)
where:
Base-Base interactions energy: -144.563
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.545
local terms energy: -99.357069
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -235.964137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.964137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.052446 (E_RNA)
where:
Base-Base interactions energy: -147.892
where: short stacking energy: -69.472
Base-Backbone interact. energy: 0.215
local terms energy: -88.375520
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -230.646441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.646441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.126955 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.453
local terms energy: -93.557962
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -219.829368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.320632 (E_RNA)
where:
Base-Base interactions energy: -139.926
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.118
local terms energy: -80.276448
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -332.368675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.368675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.369548 (E_RNA)
where:
Base-Base interactions energy: -228.679
where: short stacking energy: -100.002
Base-Backbone interact. energy: -0.203
local terms energy: -103.487517
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -28.082
Dist. restrs. and SS energy: 0.001 (S_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: 112
Temperature: 0.950000
Total energy: -316.923091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.923091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.923091 (E_RNA)
where:
Base-Base interactions energy: -219.257
where: short stacking energy: -98.978
Base-Backbone interact. energy: -0.320
local terms energy: -97.346288
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -24.905
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: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -325.392527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.392527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.924910 (E_RNA)
where:
Base-Base interactions energy: -221.109
where: short stacking energy: -94.942
Base-Backbone interact. energy: -0.038
local terms energy: -105.777603
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 1.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -321.630199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.630199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.720822 (E_RNA)
where:
Base-Base interactions energy: -208.145
where: short stacking energy: -110.359
Base-Backbone interact. energy: -0.002
local terms energy: -113.574117
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -33.292
Dist. restrs. and SS energy: 0.091 (S_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: 112
Temperature: 1.100000
Total energy: -257.728627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.728627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.097041 (E_RNA)
where:
Base-Base interactions energy: -159.053
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.148
local terms energy: -98.896059
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -300.332318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.332318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.519293 (E_RNA)
where:
Base-Base interactions energy: -192.864
where: short stacking energy: -87.769
Base-Backbone interact. energy: -0.312
local terms energy: -107.343113
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. 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: -249.595101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.595101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.123537 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -76.829
Base-Backbone interact. energy: -1.418
local terms energy: -92.509363
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -222.391161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.391161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.476936 (E_RNA)
where:
Base-Base interactions energy: -139.316
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.136
local terms energy: -83.024890
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -235.415625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.415625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.447015 (E_RNA)
where:
Base-Base interactions energy: -148.873
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.544
local terms energy: -86.029461
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -229.458828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.458828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.834799 (E_RNA)
where:
Base-Base interactions energy: -150.311
where: short stacking energy: -74.931
Base-Backbone interact. energy: -0.110
local terms energy: -79.413612
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -331.725826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.725826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.832619 (E_RNA)
where:
Base-Base interactions energy: -221.754
where: short stacking energy: -96.827
Base-Backbone interact. energy: -0.527
local terms energy: -109.551597
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -344.197418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.197418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.167014 (E_RNA)
where:
Base-Base interactions energy: -231.942
where: short stacking energy: -106.743
Base-Backbone interact. energy: -0.167
local terms energy: -114.058426
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -32.149
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -313.281965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.281965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.701762 (E_RNA)
where:
Base-Base interactions energy: -206.373
where: short stacking energy: -96.783
Base-Backbone interact. energy: -0.199
local terms energy: -107.129720
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -300.813108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.813108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.894455 (E_RNA)
where:
Base-Base interactions energy: -195.258
where: short stacking energy: -91.619
Base-Backbone interact. energy: -0.395
local terms energy: -105.241604
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.081 (S_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: 113
Temperature: 1.100000
Total energy: -271.716143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.716143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.799879 (E_RNA)
where:
Base-Base interactions energy: -177.175
where: short stacking energy: -86.274
Base-Backbone interact. energy: -0.141
local terms energy: -94.484304
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. 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: -260.752767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.752767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.879710 (E_RNA)
where:
Base-Base interactions energy: -171.331
where: short stacking energy: -79.696
Base-Backbone interact. energy: -0.067
local terms energy: -89.482052
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.127 (S_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: 113
Temperature: 1.200000
Total energy: -262.828922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.828922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.844546 (E_RNA)
where:
Base-Base interactions energy: -168.106
where: short stacking energy: -83.755
Base-Backbone interact. energy: -0.335
local terms energy: -94.403164
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -251.810484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.810484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.829290 (E_RNA)
where:
Base-Base interactions energy: -157.365
where: short stacking energy: -79.683
Base-Backbone interact. energy: -0.054
local terms energy: -94.410405
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -26.369
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -241.200930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.200930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.290527 (E_RNA)
where:
Base-Base interactions energy: -153.124
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.356
local terms energy: -87.810107
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -240.861433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.861433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.888076 (E_RNA)
where:
Base-Base interactions energy: -158.598
where: short stacking energy: -82.556
Base-Backbone interact. energy: 0.629
local terms energy: -82.919528
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -332.280444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.280444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.320547 (E_RNA)
where:
Base-Base interactions energy: -223.111
where: short stacking energy: -95.722
Base-Backbone interact. energy: -0.744
local terms energy: -108.466266
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -28.435
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -328.824296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.824296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.873112 (E_RNA)
where:
Base-Base interactions energy: -219.891
where: short stacking energy: -94.630
Base-Backbone interact. energy: -0.073
local terms energy: -108.909569
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -29.019
Dist. restrs. and SS energy: 0.049 (S_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: -311.950855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.950855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.068288 (E_RNA)
where:
Base-Base interactions energy: -216.397
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.810
local terms energy: -94.861863
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. 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: -321.881159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.881159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.918653 (E_RNA)
where:
Base-Base interactions energy: -210.741
where: short stacking energy: -102.799
Base-Backbone interact. energy: -0.090
local terms energy: -111.087708
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -30.891
Dist. restrs. and SS energy: 0.037 (S_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: 114
Temperature: 1.100000
Total energy: -279.833552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.833552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.880966 (E_RNA)
where:
Base-Base interactions energy: -180.532
where: short stacking energy: -80.116
Base-Backbone interact. energy: -0.148
local terms energy: -99.201732
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.047 (S_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: 114
Temperature: 1.150000
Total energy: -261.275495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.275495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.305591 (E_RNA)
where:
Base-Base interactions energy: -169.000
where: short stacking energy: -88.392
Base-Backbone interact. energy: -0.384
local terms energy: -91.921230
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.030 (S_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: 114
Temperature: 1.200000
Total energy: -245.754509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.754509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.164864 (E_RNA)
where:
Base-Base interactions energy: -154.727
where: short stacking energy: -76.893
Base-Backbone interact. energy: -0.063
local terms energy: -91.374974
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -234.555227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.555227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.704710 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -71.642
Base-Backbone interact. energy: 0.127
local terms energy: -77.680907
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.149 (S_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: 114
Temperature: 1.300000
Total energy: -248.498928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.498928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.812510 (E_RNA)
where:
Base-Base interactions energy: -160.860
where: short stacking energy: -89.384
Base-Backbone interact. energy: 1.374
local terms energy: -89.326207
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -218.734792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.734792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.839100 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -64.749
Base-Backbone interact. energy: 0.822
local terms energy: -84.787143
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -337.664160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.709943 (E_RNA)
where:
Base-Base interactions energy: -224.020
where: short stacking energy: -110.420
Base-Backbone interact. energy: -0.009
local terms energy: -113.681341
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -34.040
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -331.652934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.652934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.725286 (E_RNA)
where:
Base-Base interactions energy: -225.779
where: short stacking energy: -108.179
Base-Backbone interact. energy: -0.018
local terms energy: -105.927935
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -30.655
Dist. restrs. and SS energy: 0.072 (S_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: -312.197902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.197902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.288349 (E_RNA)
where:
Base-Base interactions energy: -207.943
where: short stacking energy: -92.504
Base-Backbone interact. energy: -0.281
local terms energy: -104.064036
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. 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: -318.467058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.467058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.670420 (E_RNA)
where:
Base-Base interactions energy: -208.042
where: short stacking energy: -99.348
Base-Backbone interact. energy: -0.153
local terms energy: -110.475721
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -268.424084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.424084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.655462 (E_RNA)
where:
Base-Base interactions energy: -175.511
where: short stacking energy: -78.718
Base-Backbone interact. energy: -0.015
local terms energy: -93.129303
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -253.355920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.355920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.430363 (E_RNA)
where:
Base-Base interactions energy: -157.084
where: short stacking energy: -80.773
Base-Backbone interact. energy: -0.165
local terms energy: -96.182032
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.074 (S_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: 115
Temperature: 1.200000
Total energy: -235.220815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.220815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.232560 (E_RNA)
where:
Base-Base interactions energy: -154.058
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.120
local terms energy: -81.054451
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -281.473170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.473170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.888537 (E_RNA)
where:
Base-Base interactions energy: -183.455
where: short stacking energy: -94.091
Base-Backbone interact. energy: -0.454
local terms energy: -97.979590
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -27.187
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -231.108957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.108957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.162462 (E_RNA)
where:
Base-Base interactions energy: -144.461
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.632
local terms energy: -86.069261
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -219.063836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.063836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.133985 (E_RNA)
where:
Base-Base interactions energy: -152.860
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.495
local terms energy: -65.778976
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -1.472
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -333.965511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.965511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.965511 (E_RNA)
where:
Base-Base interactions energy: -224.719
where: short stacking energy: -100.268
Base-Backbone interact. energy: -0.144
local terms energy: -109.102909
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -28.353
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: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -323.693280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.693280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.806609 (E_RNA)
where:
Base-Base interactions energy: -212.038
where: short stacking energy: -106.222
Base-Backbone interact. energy: -0.025
local terms energy: -111.744040
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. 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: -308.550451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.550451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.314473 (E_RNA)
where:
Base-Base interactions energy: -214.329
where: short stacking energy: -85.997
Base-Backbone interact. energy: -0.075
local terms energy: -94.910504
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. 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: -291.656464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.656464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.700937 (E_RNA)
where:
Base-Base interactions energy: -199.594
where: short stacking energy: -91.711
Base-Backbone interact. energy: -0.979
local terms energy: -91.127325
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -255.542907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.542907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.667203 (E_RNA)
where:
Base-Base interactions energy: -157.801
where: short stacking energy: -87.760
Base-Backbone interact. energy: -0.196
local terms energy: -97.669402
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -275.462504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.462504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.559538 (E_RNA)
where:
Base-Base interactions energy: -187.283
where: short stacking energy: -86.183
Base-Backbone interact. energy: -0.152
local terms energy: -88.124398
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.097 (S_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: 116
Temperature: 1.200000
Total energy: -237.585302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.585302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.651283 (E_RNA)
where:
Base-Base interactions energy: -156.074
where: short stacking energy: -77.905
Base-Backbone interact. energy: -0.223
local terms energy: -81.353787
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -248.273954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.273954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.337714 (E_RNA)
where:
Base-Base interactions energy: -157.569
where: short stacking energy: -78.370
Base-Backbone interact. energy: 0.117
local terms energy: -90.885284
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -224.425241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.425241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.471583 (E_RNA)
where:
Base-Base interactions energy: -140.666
where: short stacking energy: -69.609
Base-Backbone interact. energy: 0.896
local terms energy: -84.701580
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.046 (S_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: -214.937181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.937181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.026655 (E_RNA)
where:
Base-Base interactions energy: -129.732
where: short stacking energy: -59.040
Base-Backbone interact. energy: 0.776
local terms energy: -86.070794
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -331.001460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.001460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.038208 (E_RNA)
where:
Base-Base interactions energy: -225.261
where: short stacking energy: -102.066
Base-Backbone interact. energy: -0.117
local terms energy: -105.660070
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -329.629774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.629774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.629774 (E_RNA)
where:
Base-Base interactions energy: -213.772
where: short stacking energy: -98.369
Base-Backbone interact. energy: -0.079
local terms energy: -115.778990
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -322.903975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.903975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.019304 (E_RNA)
where:
Base-Base interactions energy: -214.268
where: short stacking energy: -93.049
Base-Backbone interact. energy: -0.166
local terms energy: -108.585247
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -29.270
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. 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: -283.120270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.120270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.315269 (E_RNA)
where:
Base-Base interactions energy: -181.673
where: short stacking energy: -94.852
Base-Backbone interact. energy: -0.707
local terms energy: -100.935952
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. 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: -279.380102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.380102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.241120 (E_RNA)
where:
Base-Base interactions energy: -189.446
where: short stacking energy: -87.643
Base-Backbone interact. energy: -1.288
local terms energy: -89.506215
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -262.293993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.293993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.329447 (E_RNA)
where:
Base-Base interactions energy: -158.596
where: short stacking energy: -86.513
Base-Backbone interact. energy: -0.159
local terms energy: -103.575092
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.035 (S_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: 117
Temperature: 1.200000
Total energy: -256.154337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.154337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.242613 (E_RNA)
where:
Base-Base interactions energy: -160.581
where: short stacking energy: -90.497
Base-Backbone interact. energy: -0.234
local terms energy: -95.427733
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -239.257835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.257835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.526352 (E_RNA)
where:
Base-Base interactions energy: -152.377
where: short stacking energy: -79.838
Base-Backbone interact. energy: 0.185
local terms energy: -87.334217
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -216.206771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.206771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.459245 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.289
local terms energy: -80.739051
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.252 (S_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: -193.744241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.744241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.039594 (E_RNA)
where:
Base-Base interactions energy: -130.871
where: short stacking energy: -51.178
Base-Backbone interact. energy: 0.196
local terms energy: -63.364205
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -334.569171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.569171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.619335 (E_RNA)
where:
Base-Base interactions energy: -226.694
where: short stacking energy: -107.421
Base-Backbone interact. energy: -0.001
local terms energy: -107.924712
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -329.973994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.973994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.973994 (E_RNA)
where:
Base-Base interactions energy: -227.955
where: short stacking energy: -104.778
Base-Backbone interact. energy: -0.146
local terms energy: -101.873106
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -26.296
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: 118
Temperature: 1.000000
Total energy: -279.538823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.538823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.679794 (E_RNA)
where:
Base-Base interactions energy: -181.422
where: short stacking energy: -98.360
Base-Backbone interact. energy: -0.203
local terms energy: -98.055224
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -24.966
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -282.276722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.276722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.276722 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.628
local terms energy: -88.571409
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -275.782756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.782756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.830891 (E_RNA)
where:
Base-Base interactions energy: -171.181
where: short stacking energy: -96.005
Base-Backbone interact. energy: -0.587
local terms energy: -104.062708
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -293.853250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.853250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.103897 (E_RNA)
where:
Base-Base interactions energy: -201.751
where: short stacking energy: -86.728
Base-Backbone interact. energy: 1.409
local terms energy: -93.761722
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.251 (S_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: 118
Temperature: 1.200000
Total energy: -252.290589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.290589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.482549 (E_RNA)
where:
Base-Base interactions energy: -165.776
where: short stacking energy: -78.476
Base-Backbone interact. energy: -0.374
local terms energy: -86.332456
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -236.695227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.695227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.720855 (E_RNA)
where:
Base-Base interactions energy: -161.805
where: short stacking energy: -67.999
Base-Backbone interact. energy: 0.428
local terms energy: -75.343346
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -225.294160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.294160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.294160 (E_RNA)
where:
Base-Base interactions energy: -138.274
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.032
local terms energy: -86.988635
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -234.492193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.682040 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -73.943
Base-Backbone interact. energy: -0.224
local terms energy: -86.270062
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -339.104199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.104199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.128912 (E_RNA)
where:
Base-Base interactions energy: -227.345
where: short stacking energy: -99.883
Base-Backbone interact. energy: -0.245
local terms energy: -111.538604
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -328.683343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.683343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.884954 (E_RNA)
where:
Base-Base interactions energy: -228.823
where: short stacking energy: -103.816
Base-Backbone interact. energy: -0.105
local terms energy: -99.957171
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. 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: -282.579393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.579393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.585614 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -78.671
Base-Backbone interact. energy: -0.436
local terms energy: -97.479777
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -282.811385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.811385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.974274 (E_RNA)
where:
Base-Base interactions energy: -184.330
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.160
local terms energy: -100.483943
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 2.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -275.848179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.848179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.280399 (E_RNA)
where:
Base-Base interactions energy: -178.564
where: short stacking energy: -91.282
Base-Backbone interact. energy: -0.154
local terms energy: -97.563039
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -27.986
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -301.513098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.513098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.828197 (E_RNA)
where:
Base-Base interactions energy: -205.589
where: short stacking energy: -101.056
Base-Backbone interact. energy: -0.012
local terms energy: -97.226938
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 1.315 (S_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: 119
Temperature: 1.200000
Total energy: -236.946043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.946043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.994365 (E_RNA)
where:
Base-Base interactions energy: -154.268
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.227
local terms energy: -82.498967
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -247.954135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.954135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.335042 (E_RNA)
where:
Base-Base interactions energy: -163.301
where: short stacking energy: -67.305
Base-Backbone interact. energy: -0.738
local terms energy: -84.295307
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -227.286324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.286324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488522 (E_RNA)
where:
Base-Base interactions energy: -137.833
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.489
local terms energy: -89.165686
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.202 (S_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: 119
Temperature: 1.350000
Total energy: -230.133373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.133373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.329179 (E_RNA)
where:
Base-Base interactions energy: -144.942
where: short stacking energy: -69.544
Base-Backbone interact. energy: 0.122
local terms energy: -85.509358
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -324.731564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.731564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.806643 (E_RNA)
where:
Base-Base interactions energy: -221.102
where: short stacking energy: -92.575
Base-Backbone interact. energy: 1.894
local terms energy: -105.598143
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -332.344893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.344893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.362012 (E_RNA)
where:
Base-Base interactions energy: -224.283
where: short stacking energy: -93.527
Base-Backbone interact. energy: -0.306
local terms energy: -107.772946
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -285.274478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.274478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.847381 (E_RNA)
where:
Base-Base interactions energy: -189.814
where: short stacking energy: -97.924
Base-Backbone interact. energy: -0.053
local terms energy: -97.980086
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 2.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -262.129745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.129745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.479399 (E_RNA)
where:
Base-Base interactions energy: -163.403
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.004
local terms energy: -99.072227
where:
bonds (distance) C4'-P energy: -24.448
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -27.288
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -274.245414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.245414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.481275 (E_RNA)
where:
Base-Base interactions energy: -181.136
where: short stacking energy: -92.442
Base-Backbone interact. energy: -0.188
local terms energy: -93.157657
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -276.849717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.849717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.416752 (E_RNA)
where:
Base-Base interactions energy: -185.537
where: short stacking energy: -83.183
Base-Backbone interact. energy: -0.073
local terms energy: -92.806774
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 1.567 (S_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: 120
Temperature: 1.200000
Total energy: -252.521801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.521801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.521801 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -79.069
Base-Backbone interact. energy: -0.684
local terms energy: -92.420617
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -249.410997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.410997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.662681 (E_RNA)
where:
Base-Base interactions energy: -159.525
where: short stacking energy: -81.385
Base-Backbone interact. energy: 1.249
local terms energy: -91.386242
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -228.638430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.638430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.095925 (E_RNA)
where:
Base-Base interactions energy: -134.540
where: short stacking energy: -69.087
Base-Backbone interact. energy: -0.302
local terms energy: -94.253833
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -216.420102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.420102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.596518 (E_RNA)
where:
Base-Base interactions energy: -134.762
where: short stacking energy: -64.874
Base-Backbone interact. energy: 2.078
local terms energy: -83.912683
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -326.936283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.936283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.981485 (E_RNA)
where:
Base-Base interactions energy: -216.984
where: short stacking energy: -104.377
Base-Backbone interact. energy: -0.029
local terms energy: -109.968349
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -326.183076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.183076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.466158 (E_RNA)
where:
Base-Base interactions energy: -215.448
where: short stacking energy: -102.091
Base-Backbone interact. energy: -0.123
local terms energy: -110.894977
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -277.192436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.192436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.230598 (E_RNA)
where:
Base-Base interactions energy: -186.153
where: short stacking energy: -75.702
Base-Backbone interact. energy: -0.380
local terms energy: -91.697688
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 1.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -281.073841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.073841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.259447 (E_RNA)
where:
Base-Base interactions energy: -181.523
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.059
local terms energy: -99.677301
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -275.392421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.392421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.490624 (E_RNA)
where:
Base-Base interactions energy: -171.921
where: short stacking energy: -94.512
Base-Backbone interact. energy: -0.041
local terms energy: -103.528521
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.098 (S_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: 121
Temperature: 1.150000
Total energy: -263.193889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.193889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.242352 (E_RNA)
where:
Base-Base interactions energy: -171.464
where: short stacking energy: -83.575
Base-Backbone interact. energy: -0.070
local terms energy: -91.707522
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -270.662437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.662437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.142779 (E_RNA)
where:
Base-Base interactions energy: -178.447
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.926
local terms energy: -91.770025
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -229.995664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.995664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.200815 (E_RNA)
where:
Base-Base interactions energy: -139.053
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.112
local terms energy: -91.035498
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -222.505609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.505609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.505609 (E_RNA)
where:
Base-Base interactions energy: -136.872
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.253
local terms energy: -85.380718
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -230.466645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.466645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.546518 (E_RNA)
where:
Base-Base interactions energy: -139.612
where: short stacking energy: -65.685
Base-Backbone interact. energy: 1.898
local terms energy: -92.833106
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -332.763791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.763791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.763791 (E_RNA)
where:
Base-Base interactions energy: -225.039
where: short stacking energy: -102.734
Base-Backbone interact. energy: -0.086
local terms energy: -107.638508
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -17.743
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: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -326.187692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.187692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.260435 (E_RNA)
where:
Base-Base interactions energy: -213.268
where: short stacking energy: -105.329
Base-Backbone interact. energy: -0.175
local terms energy: -112.817853
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -30.787
Dist. restrs. and SS energy: 0.073 (S_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: 122
Temperature: 1.000000
Total energy: -284.837446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.837446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.851018 (E_RNA)
where:
Base-Base interactions energy: -189.047
where: short stacking energy: -79.472
Base-Backbone interact. energy: -0.032
local terms energy: -95.771109
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -265.147930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.147930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.809027 (E_RNA)
where:
Base-Base interactions energy: -165.479
where: short stacking energy: -91.834
Base-Backbone interact. energy: -0.101
local terms energy: -101.228967
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: 1.661 (S_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: 122
Temperature: 1.100000
Total energy: -276.587262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.587262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.675643 (E_RNA)
where:
Base-Base interactions energy: -177.207
where: short stacking energy: -87.232
Base-Backbone interact. energy: -0.338
local terms energy: -99.130202
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.088 (S_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: 122
Temperature: 1.150000
Total energy: -251.393946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.393946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.435248 (E_RNA)
where:
Base-Base interactions energy: -159.918
where: short stacking energy: -79.219
Base-Backbone interact. energy: -0.138
local terms energy: -91.379038
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -288.328982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.328982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.373091 (E_RNA)
where:
Base-Base interactions energy: -195.911
where: short stacking energy: -94.767
Base-Backbone interact. energy: -0.116
local terms energy: -92.346107
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -241.565690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.565690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.754598 (E_RNA)
where:
Base-Base interactions energy: -161.901
where: short stacking energy: -88.460
Base-Backbone interact. energy: 3.280
local terms energy: -83.133727
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -220.054206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.054206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.063150 (E_RNA)
where:
Base-Base interactions energy: -140.315
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.136
local terms energy: -79.611934
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -209.750114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.750114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.750114 (E_RNA)
where:
Base-Base interactions energy: -140.888
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.269
local terms energy: -68.593072
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -337.204380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.204380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.322090 (E_RNA)
where:
Base-Base interactions energy: -230.864
where: short stacking energy: -102.155
Base-Backbone interact. energy: -1.666
local terms energy: -104.791689
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -31.579
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -329.651219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.651219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.734210 (E_RNA)
where:
Base-Base interactions energy: -219.336
where: short stacking energy: -103.816
Base-Backbone interact. energy: -0.355
local terms energy: -110.043273
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -29.412
Dist. restrs. and SS energy: 0.083 (S_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: 123
Temperature: 1.000000
Total energy: -285.379729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.379729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.433725 (E_RNA)
where:
Base-Base interactions energy: -195.944
where: short stacking energy: -101.458
Base-Backbone interact. energy: -0.456
local terms energy: -89.034282
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -24.628
Dist. restrs. and SS energy: 0.054 (S_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: 123
Temperature: 1.050000
Total energy: -280.060550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.060550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.186825 (E_RNA)
where:
Base-Base interactions energy: -180.569
where: short stacking energy: -84.458
Base-Backbone interact. energy: -0.881
local terms energy: -98.737330
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -275.557461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.557461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.823863 (E_RNA)
where:
Base-Base interactions energy: -173.337
where: short stacking energy: -80.781
Base-Backbone interact. energy: -0.020
local terms energy: -102.466583
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -271.815545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.815545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.818543 (E_RNA)
where:
Base-Base interactions energy: -182.115
where: short stacking energy: -78.192
Base-Backbone interact. energy: -0.495
local terms energy: -89.208391
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.003 (S_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: 123
Temperature: 1.200000
Total energy: -251.261341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.261341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.278745 (E_RNA)
where:
Base-Base interactions energy: -154.503
where: short stacking energy: -78.769
Base-Backbone interact. energy: -0.400
local terms energy: -96.376677
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -248.477715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.477715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.571523 (E_RNA)
where:
Base-Base interactions energy: -156.203
where: short stacking energy: -72.342
Base-Backbone interact. energy: -0.936
local terms energy: -91.432851
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -231.667395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.667395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.689816 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.258
local terms energy: -90.971652
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -230.333462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.333462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.415307 (E_RNA)
where:
Base-Base interactions energy: -148.561
where: short stacking energy: -72.765
Base-Backbone interact. energy: -1.522
local terms energy: -82.332390
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 2.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -334.884506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.884506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.888374 (E_RNA)
where:
Base-Base interactions energy: -216.323
where: short stacking energy: -104.609
Base-Backbone interact. energy: -0.021
local terms energy: -118.544039
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -332.637896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.637896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.638934 (E_RNA)
where:
Base-Base interactions energy: -221.152
where: short stacking energy: -102.796
Base-Backbone interact. energy: -0.692
local terms energy: -110.795075
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.001 (S_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: 124
Temperature: 1.000000
Total energy: -292.695001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.695001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.805427 (E_RNA)
where:
Base-Base interactions energy: -191.585
where: short stacking energy: -90.402
Base-Backbone interact. energy: -0.082
local terms energy: -101.139317
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.110 (S_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: 124
Temperature: 1.050000
Total energy: -286.737546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.737546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.779759 (E_RNA)
where:
Base-Base interactions energy: -191.882
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.156
local terms energy: -94.742143
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.042 (S_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: 124
Temperature: 1.100000
Total energy: -268.878019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.878019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.878019 (E_RNA)
where:
Base-Base interactions energy: -169.805
where: short stacking energy: -77.116
Base-Backbone interact. energy: -0.278
local terms energy: -98.795345
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -241.560941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.560941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.602403 (E_RNA)
where:
Base-Base interactions energy: -155.217
where: short stacking energy: -76.602
Base-Backbone interact. energy: -0.119
local terms energy: -86.266482
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.041 (S_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: 124
Temperature: 1.200000
Total energy: -252.653642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.653642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.654154 (E_RNA)
where:
Base-Base interactions energy: -163.637
where: short stacking energy: -86.943
Base-Backbone interact. energy: -1.084
local terms energy: -87.932317
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -212.600102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.600102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.600102 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -68.288
Base-Backbone interact. energy: 0.203
local terms energy: -76.531699
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -11.067
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: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -237.367104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.367104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.369572 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -58.569
Base-Backbone interact. energy: 0.281
local terms energy: -89.418991
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -235.739401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.739401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.884927 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.072
local terms energy: -83.404445
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -343.757902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.757902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.757902 (E_RNA)
where:
Base-Base interactions energy: -231.634
where: short stacking energy: -107.859
Base-Backbone interact. energy: -0.352
local terms energy: -111.772146
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -332.361581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.361581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.370759 (E_RNA)
where:
Base-Base interactions energy: -220.109
where: short stacking energy: -106.131
Base-Backbone interact. energy: -0.014
local terms energy: -112.247335
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -29.236
Dist. restrs. and SS energy: 0.009 (S_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: 125
Temperature: 1.000000
Total energy: -315.991687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.991687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.166783 (E_RNA)
where:
Base-Base interactions energy: -208.278
where: short stacking energy: -94.514
Base-Backbone interact. energy: -0.348
local terms energy: -107.539988
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.175 (S_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: 125
Temperature: 1.050000
Total energy: -278.693946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.693946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.709727 (E_RNA)
where:
Base-Base interactions energy: -186.424
where: short stacking energy: -77.247
Base-Backbone interact. energy: -0.179
local terms energy: -92.106458
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.016 (S_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: 125
Temperature: 1.100000
Total energy: -277.560791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.560791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.588767 (E_RNA)
where:
Base-Base interactions energy: -176.518
where: short stacking energy: -85.299
Base-Backbone interact. energy: 1.199
local terms energy: -102.269408
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -265.117693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.117693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.126843 (E_RNA)
where:
Base-Base interactions energy: -178.950
where: short stacking energy: -80.356
Base-Backbone interact. energy: -0.130
local terms energy: -86.046748
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.009 (S_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: 125
Temperature: 1.200000
Total energy: -238.022154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.022154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.316070 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -78.451
Base-Backbone interact. energy: -0.352
local terms energy: -90.700701
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -246.764771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.764771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.159865 (E_RNA)
where:
Base-Base interactions energy: -154.670
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.114
local terms energy: -92.375942
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -215.795763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.795763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.011661 (E_RNA)
where:
Base-Base interactions energy: -137.243
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.114
local terms energy: -78.654043
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -216.604774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.604774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.679997 (E_RNA)
where:
Base-Base interactions energy: -141.263
where: short stacking energy: -70.601
Base-Backbone interact. energy: -0.276
local terms energy: -75.141000
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -336.952171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.952171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.955755 (E_RNA)
where:
Base-Base interactions energy: -222.278
where: short stacking energy: -110.934
Base-Backbone interact. energy: -0.072
local terms energy: -114.605438
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -30.900
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -327.453603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.453603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.324033 (E_RNA)
where:
Base-Base interactions energy: -216.613
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.041
local terms energy: -111.670077
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.870 (S_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: 126
Temperature: 1.000000
Total energy: -286.423656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.423656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.480711 (E_RNA)
where:
Base-Base interactions energy: -191.167
where: short stacking energy: -95.341
Base-Backbone interact. energy: -0.256
local terms energy: -95.057745
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.057 (S_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: 126
Temperature: 1.050000
Total energy: -286.565083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.565083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.603798 (E_RNA)
where:
Base-Base interactions energy: -183.664
where: short stacking energy: -93.011
Base-Backbone interact. energy: -0.216
local terms energy: -102.723823
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -29.301
Dist. restrs. and SS energy: 0.039 (S_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: 126
Temperature: 1.100000
Total energy: -276.021796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.021796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.608544 (E_RNA)
where:
Base-Base interactions energy: -177.431
where: short stacking energy: -87.161
Base-Backbone interact. energy: -0.131
local terms energy: -100.046123
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 1.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -248.522833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.522833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.553656 (E_RNA)
where:
Base-Base interactions energy: -166.408
where: short stacking energy: -77.925
Base-Backbone interact. energy: -0.069
local terms energy: -82.076533
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.031 (S_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: 126
Temperature: 1.200000
Total energy: -246.727318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.727318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.237039 (E_RNA)
where:
Base-Base interactions energy: -153.418
where: short stacking energy: -78.286
Base-Backbone interact. energy: 0.141
local terms energy: -93.960143
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -253.654932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.654932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.765657 (E_RNA)
where:
Base-Base interactions energy: -155.368
where: short stacking energy: -81.777
Base-Backbone interact. energy: -0.089
local terms energy: -98.308450
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. 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: -235.606070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.606070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.893528 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -77.434
Base-Backbone interact. energy: 0.826
local terms energy: -82.233258
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -217.648057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.648057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.776082 (E_RNA)
where:
Base-Base interactions energy: -146.986
where: short stacking energy: -61.786
Base-Backbone interact. energy: 0.782
local terms energy: -71.572770
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -344.566551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.566551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.635569 (E_RNA)
where:
Base-Base interactions energy: -223.425
where: short stacking energy: -109.947
Base-Backbone interact. energy: -0.685
local terms energy: -120.524832
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -32.962
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -327.849106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.849106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.041212 (E_RNA)
where:
Base-Base interactions energy: -214.774
where: short stacking energy: -107.682
Base-Backbone interact. energy: -0.024
local terms energy: -114.242401
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 1.192 (S_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: 127
Temperature: 1.000000
Total energy: -300.448384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.448384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.666664 (E_RNA)
where:
Base-Base interactions energy: -195.654
where: short stacking energy: -89.910
Base-Backbone interact. energy: -0.490
local terms energy: -104.522286
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -292.333476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.333476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.372709 (E_RNA)
where:
Base-Base interactions energy: -197.937
where: short stacking energy: -94.861
Base-Backbone interact. energy: -0.324
local terms energy: -94.111251
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.039 (S_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: 127
Temperature: 1.100000
Total energy: -272.906912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.906912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.321563 (E_RNA)
where:
Base-Base interactions energy: -177.187
where: short stacking energy: -89.496
Base-Backbone interact. energy: 0.148
local terms energy: -97.282224
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -27.236
Dist. restrs. and SS energy: 1.415 (S_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: 127
Temperature: 1.150000
Total energy: -241.735732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.735732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.051242 (E_RNA)
where:
Base-Base interactions energy: -155.195
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.219
local terms energy: -86.637341
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -249.774463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.774463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.806430 (E_RNA)
where:
Base-Base interactions energy: -165.863
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.068
local terms energy: -83.876138
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -240.347343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.347343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.373986 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.044
local terms energy: -89.969834
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -245.703063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.703063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.732634 (E_RNA)
where:
Base-Base interactions energy: -154.193
where: short stacking energy: -78.988
Base-Backbone interact. energy: -0.485
local terms energy: -91.054622
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -234.979939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.979939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.012010 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.481
local terms energy: -96.579966
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -336.025914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.025914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.121451 (E_RNA)
where:
Base-Base interactions energy: -215.930
where: short stacking energy: -109.062
Base-Backbone interact. energy: -0.036
local terms energy: -120.155589
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -32.271
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -329.707493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.707493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.315912 (E_RNA)
where:
Base-Base interactions energy: -219.435
where: short stacking energy: -108.989
Base-Backbone interact. energy: -0.011
local terms energy: -111.869726
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 1.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -293.856687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.856687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.938888 (E_RNA)
where:
Base-Base interactions energy: -185.376
where: short stacking energy: -88.827
Base-Backbone interact. energy: -0.221
local terms energy: -108.342062
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -25.331
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -291.368504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.368504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.559253 (E_RNA)
where:
Base-Base interactions energy: -197.341
where: short stacking energy: -80.705
Base-Backbone interact. energy: -0.367
local terms energy: -93.851778
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.191 (S_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: 128
Temperature: 1.100000
Total energy: -287.330855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.330855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.367396 (E_RNA)
where:
Base-Base interactions energy: -194.504
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.329
local terms energy: -92.534365
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.037 (S_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: 128
Temperature: 1.150000
Total energy: -256.963745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.963745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.290989 (E_RNA)
where:
Base-Base interactions energy: -170.839
where: short stacking energy: -81.418
Base-Backbone interact. energy: -0.752
local terms energy: -85.699703
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -262.392397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.392397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.493016 (E_RNA)
where:
Base-Base interactions energy: -171.657
where: short stacking energy: -78.654
Base-Backbone interact. energy: -0.201
local terms energy: -90.634895
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -222.508784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.508784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.897411 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.321
local terms energy: -90.686341
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.389 (S_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: 128
Temperature: 1.300000
Total energy: -219.839142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.839142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.936146 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.193
local terms energy: -81.191612
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -210.869740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.869740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.110868 (E_RNA)
where:
Base-Base interactions energy: -139.834
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.033
local terms energy: -71.243669
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -337.198244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.198244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.243876 (E_RNA)
where:
Base-Base interactions energy: -231.569
where: short stacking energy: -115.217
Base-Backbone interact. energy: 1.128
local terms energy: -106.802445
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -323.869792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.869792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.278410 (E_RNA)
where:
Base-Base interactions energy: -221.359
where: short stacking energy: -108.255
Base-Backbone interact. energy: 0.461
local terms energy: -104.379874
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -30.046
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -299.979321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.979321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.988385 (E_RNA)
where:
Base-Base interactions energy: -197.673
where: short stacking energy: -93.598
Base-Backbone interact. energy: 0.089
local terms energy: -102.404270
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.009 (S_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: 129
Temperature: 1.050000
Total energy: -282.060829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.060829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.108530 (E_RNA)
where:
Base-Base interactions energy: -183.634
where: short stacking energy: -95.962
Base-Backbone interact. energy: -0.077
local terms energy: -98.397812
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.048 (S_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: 129
Temperature: 1.100000
Total energy: -303.392977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.392977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.510795 (E_RNA)
where:
Base-Base interactions energy: -202.907
where: short stacking energy: -88.040
Base-Backbone interact. energy: -0.120
local terms energy: -100.483102
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -265.566020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.566020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.730468 (E_RNA)
where:
Base-Base interactions energy: -175.792
where: short stacking energy: -82.132
Base-Backbone interact. energy: -0.141
local terms energy: -89.796758
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.164 (S_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: 129
Temperature: 1.200000
Total energy: -242.944386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.944386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.055593 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -74.408
Base-Backbone interact. energy: 0.147
local terms energy: -94.032724
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.111 (S_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: 129
Temperature: 1.250000
Total energy: -244.254246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.254246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.371171 (E_RNA)
where:
Base-Base interactions energy: -160.075
where: short stacking energy: -80.668
Base-Backbone interact. energy: -0.367
local terms energy: -83.928560
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -228.311568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.311568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.362453 (E_RNA)
where:
Base-Base interactions energy: -146.732
where: short stacking energy: -70.215
Base-Backbone interact. energy: -0.079
local terms energy: -81.550949
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -204.441697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.441697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.613588 (E_RNA)
where:
Base-Base interactions energy: -126.185
where: short stacking energy: -60.107
Base-Backbone interact. energy: 1.068
local terms energy: -79.496944
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -338.673715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.673715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.929150 (E_RNA)
where:
Base-Base interactions energy: -222.512
where: short stacking energy: -107.324
Base-Backbone interact. energy: 0.056
local terms energy: -118.473350
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 2.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -328.940548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.940548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.973515 (E_RNA)
where:
Base-Base interactions energy: -216.976
where: short stacking energy: -107.940
Base-Backbone interact. energy: -0.249
local terms energy: -111.748842
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -295.055953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.055953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.073214 (E_RNA)
where:
Base-Base interactions energy: -192.403
where: short stacking energy: -86.588
Base-Backbone interact. energy: -0.933
local terms energy: -101.737149
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.017 (S_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: 130
Temperature: 1.050000
Total energy: -282.898430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.898430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.974514 (E_RNA)
where:
Base-Base interactions energy: -172.884
where: short stacking energy: -94.273
Base-Backbone interact. energy: -1.017
local terms energy: -109.073305
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -273.907127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.907127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.947355 (E_RNA)
where:
Base-Base interactions energy: -172.795
where: short stacking energy: -89.293
Base-Backbone interact. energy: 0.391
local terms energy: -101.543073
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -289.812616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.812616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.622320 (E_RNA)
where:
Base-Base interactions energy: -203.115
where: short stacking energy: -86.016
Base-Backbone interact. energy: -0.148
local terms energy: -87.359105
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.810 (S_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: 130
Temperature: 1.200000
Total energy: -253.667714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.667714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.708043 (E_RNA)
where:
Base-Base interactions energy: -165.666
where: short stacking energy: -89.740
Base-Backbone interact. energy: -0.353
local terms energy: -87.688834
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -254.068135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.068135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.381922 (E_RNA)
where:
Base-Base interactions energy: -157.918
where: short stacking energy: -74.742
Base-Backbone interact. energy: -0.043
local terms energy: -96.420454
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -236.699137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.699137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.762171 (E_RNA)
where:
Base-Base interactions energy: -146.380
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.771
local terms energy: -89.610726
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -218.459968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.459968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.459968 (E_RNA)
where:
Base-Base interactions energy: -138.934
where: short stacking energy: -63.155
Base-Backbone interact. energy: -0.113
local terms energy: -79.413166
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -328.047123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.047123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.092079 (E_RNA)
where:
Base-Base interactions energy: -215.417
where: short stacking energy: -107.770
Base-Backbone interact. energy: -0.007
local terms energy: -113.667776
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: 1.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -317.578831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.578831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.606420 (E_RNA)
where:
Base-Base interactions energy: -213.841
where: short stacking energy: -98.747
Base-Backbone interact. energy: -0.794
local terms energy: -102.970979
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -28.964
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -317.851357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.851357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.932083 (E_RNA)
where:
Base-Base interactions energy: -210.018
where: short stacking energy: -95.695
Base-Backbone interact. energy: -0.127
local terms energy: -107.787297
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.081 (S_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: 131
Temperature: 1.050000
Total energy: -275.098770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.098770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.116315 (E_RNA)
where:
Base-Base interactions energy: -180.961
where: short stacking energy: -89.323
Base-Backbone interact. energy: -0.127
local terms energy: -94.028235
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. 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: -289.024050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.024050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.081350 (E_RNA)
where:
Base-Base interactions energy: -186.524
where: short stacking energy: -90.750
Base-Backbone interact. energy: -0.176
local terms energy: -102.381328
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.057 (S_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: 131
Temperature: 1.150000
Total energy: -264.844804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.844804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.162283 (E_RNA)
where:
Base-Base interactions energy: -171.331
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.893
local terms energy: -92.937986
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -264.369321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.369321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.444995 (E_RNA)
where:
Base-Base interactions energy: -167.582
where: short stacking energy: -92.191
Base-Backbone interact. energy: -0.429
local terms energy: -96.434212
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -229.707442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.707442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.748112 (E_RNA)
where:
Base-Base interactions energy: -143.810
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.111
local terms energy: -85.827815
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -229.343283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.343283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.392794 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -66.751
Base-Backbone interact. energy: 1.405
local terms energy: -89.166801
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -215.933961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.933961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.933961 (E_RNA)
where:
Base-Base interactions energy: -134.744
where: short stacking energy: -62.510
Base-Backbone interact. energy: -1.299
local terms energy: -79.890577
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -334.401323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.401323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.047661 (E_RNA)
where:
Base-Base interactions energy: -222.234
where: short stacking energy: -114.558
Base-Backbone interact. energy: 1.631
local terms energy: -115.443709
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -34.992
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -326.529971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.529971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.568822 (E_RNA)
where:
Base-Base interactions energy: -220.394
where: short stacking energy: -107.477
Base-Backbone interact. energy: -0.056
local terms energy: -106.118839
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -26.460
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -311.983521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.983521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.123413 (E_RNA)
where:
Base-Base interactions energy: -221.035
where: short stacking energy: -90.293
Base-Backbone interact. energy: 0.087
local terms energy: -91.174585
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.140 (S_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: 132
Temperature: 1.050000
Total energy: -286.814988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.814988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.814988 (E_RNA)
where:
Base-Base interactions energy: -189.393
where: short stacking energy: -92.729
Base-Backbone interact. energy: -0.141
local terms energy: -97.280695
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -23.566
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: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -278.383270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.383270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.434412 (E_RNA)
where:
Base-Base interactions energy: -177.264
where: short stacking energy: -78.119
Base-Backbone interact. energy: -0.693
local terms energy: -100.478275
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.051 (S_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: 132
Temperature: 1.150000
Total energy: -262.080058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.080058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.094994 (E_RNA)
where:
Base-Base interactions energy: -173.696
where: short stacking energy: -77.392
Base-Backbone interact. energy: 0.022
local terms energy: -88.420965
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -255.789024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.789024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.789024 (E_RNA)
where:
Base-Base interactions energy: -154.020
where: short stacking energy: -78.598
Base-Backbone interact. energy: -0.259
local terms energy: -101.510413
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -22.301
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: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -253.256144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.256144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.256144 (E_RNA)
where:
Base-Base interactions energy: -161.176
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.077
local terms energy: -92.002645
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -225.827644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.827644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.921271 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -77.929
Base-Backbone interact. energy: -0.090
local terms energy: -81.271686
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -233.488717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.488717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.568971 (E_RNA)
where:
Base-Base interactions energy: -151.155
where: short stacking energy: -65.767
Base-Backbone interact. energy: 0.360
local terms energy: -82.773355
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -336.094595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.094595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.494123 (E_RNA)
where:
Base-Base interactions energy: -224.384
where: short stacking energy: -105.907
Base-Backbone interact. energy: -0.829
local terms energy: -112.281012
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -28.666
Dist. restrs. and SS energy: 1.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -328.394390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.394390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.412265 (E_RNA)
where:
Base-Base interactions energy: -218.915
where: short stacking energy: -104.050
Base-Backbone interact. energy: 1.076
local terms energy: -110.573418
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -318.272060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.272060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.272536 (E_RNA)
where:
Base-Base interactions energy: -220.373
where: short stacking energy: -99.343
Base-Backbone interact. energy: -0.183
local terms energy: -97.716677
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -324.431847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.431847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.565356 (E_RNA)
where:
Base-Base interactions energy: -215.906
where: short stacking energy: -99.319
Base-Backbone interact. energy: -0.109
local terms energy: -108.550622
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -31.297
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -279.256774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.256774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.344854 (E_RNA)
where:
Base-Base interactions energy: -177.128
where: short stacking energy: -92.890
Base-Backbone interact. energy: -0.056
local terms energy: -102.161064
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. 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: -272.935303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.935303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.053931 (E_RNA)
where:
Base-Base interactions energy: -180.865
where: short stacking energy: -86.647
Base-Backbone interact. energy: -0.242
local terms energy: -91.947163
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.119 (S_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: 133
Temperature: 1.200000
Total energy: -279.930971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.930971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.703515 (E_RNA)
where:
Base-Base interactions energy: -199.807
where: short stacking energy: -87.154
Base-Backbone interact. energy: -0.339
local terms energy: -80.557586
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -24.904
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -251.209471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.209471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.248236 (E_RNA)
where:
Base-Base interactions energy: -154.060
where: short stacking energy: -70.489
Base-Backbone interact. energy: 0.581
local terms energy: -97.769051
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -22.988
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -259.939746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.939746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.948785 (E_RNA)
where:
Base-Base interactions energy: -176.545
where: short stacking energy: -75.030
Base-Backbone interact. energy: -0.130
local terms energy: -83.273852
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -222.149122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220897 (E_RNA)
where:
Base-Base interactions energy: -142.216
where: short stacking energy: -71.211
Base-Backbone interact. energy: -0.113
local terms energy: -79.892155
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -331.405908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.405908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.553513 (E_RNA)
where:
Base-Base interactions energy: -225.307
where: short stacking energy: -103.787
Base-Backbone interact. energy: 0.540
local terms energy: -106.786014
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -322.978391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.978391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.462116 (E_RNA)
where:
Base-Base interactions energy: -224.240
where: short stacking energy: -100.651
Base-Backbone interact. energy: -0.448
local terms energy: -98.774871
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -27.819
Dist. restrs. and SS energy: 0.484 (S_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: 134
Temperature: 1.000000
Total energy: -312.494633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.494633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.630469 (E_RNA)
where:
Base-Base interactions energy: -209.283
where: short stacking energy: -90.984
Base-Backbone interact. energy: -0.024
local terms energy: -103.323292
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.136 (S_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: 134
Temperature: 1.050000
Total energy: -318.160263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.160263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.331436 (E_RNA)
where:
Base-Base interactions energy: -209.084
where: short stacking energy: -85.488
Base-Backbone interact. energy: -0.174
local terms energy: -109.073560
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -307.675942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.675942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.817912 (E_RNA)
where:
Base-Base interactions energy: -196.954
where: short stacking energy: -93.590
Base-Backbone interact. energy: -0.080
local terms energy: -110.783209
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -30.005
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -294.391359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.391359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.451322 (E_RNA)
where:
Base-Base interactions energy: -196.613
where: short stacking energy: -95.881
Base-Backbone interact. energy: -0.055
local terms energy: -97.783105
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.060 (S_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: 134
Temperature: 1.200000
Total energy: -238.641278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.641278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.773162 (E_RNA)
where:
Base-Base interactions energy: -142.801
where: short stacking energy: -75.608
Base-Backbone interact. energy: 0.384
local terms energy: -96.355841
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.132 (S_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: 134
Temperature: 1.250000
Total energy: -256.304771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.304771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.423386 (E_RNA)
where:
Base-Base interactions energy: -171.436
where: short stacking energy: -68.874
Base-Backbone interact. energy: -1.065
local terms energy: -83.921888
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -257.092889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.092889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.121989 (E_RNA)
where:
Base-Base interactions energy: -166.528
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.206
local terms energy: -90.387325
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -237.152852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.152852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.254254 (E_RNA)
where:
Base-Base interactions energy: -155.566
where: short stacking energy: -76.721
Base-Backbone interact. energy: -0.151
local terms energy: -81.536808
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -22.942
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -329.754017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.754017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.973100 (E_RNA)
where:
Base-Base interactions energy: -217.886
where: short stacking energy: -104.042
Base-Backbone interact. energy: -0.008
local terms energy: -112.078447
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: 0.219 (S_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: -316.217865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.217865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.478432 (E_RNA)
where:
Base-Base interactions energy: -209.059
where: short stacking energy: -93.290
Base-Backbone interact. energy: 0.798
local terms energy: -108.217491
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -22.244
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -320.220132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.220132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.499818 (E_RNA)
where:
Base-Base interactions energy: -208.109
where: short stacking energy: -95.682
Base-Backbone interact. energy: -0.434
local terms energy: -111.956620
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -30.352
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -321.506316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.506316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.506468 (E_RNA)
where:
Base-Base interactions energy: -219.933
where: short stacking energy: -101.240
Base-Backbone interact. energy: -0.285
local terms energy: -101.288112
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -296.647971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.647971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.942919 (E_RNA)
where:
Base-Base interactions energy: -197.043
where: short stacking energy: -93.855
Base-Backbone interact. energy: -0.014
local terms energy: -99.886085
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -27.765
Dist. restrs. and SS energy: 0.295 (S_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: 135
Temperature: 1.150000
Total energy: -252.226797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.226797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.427821 (E_RNA)
where:
Base-Base interactions energy: -164.674
where: short stacking energy: -82.519
Base-Backbone interact. energy: -0.501
local terms energy: -87.252766
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -299.033090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.033090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.090750 (E_RNA)
where:
Base-Base interactions energy: -198.304
where: short stacking energy: -89.470
Base-Backbone interact. energy: -0.077
local terms energy: -100.709994
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -243.564800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.564800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.718305 (E_RNA)
where:
Base-Base interactions energy: -161.336
where: short stacking energy: -70.579
Base-Backbone interact. energy: -0.736
local terms energy: -81.646202
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.154 (S_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: 135
Temperature: 1.300000
Total energy: -231.517073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.517073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.796821 (E_RNA)
where:
Base-Base interactions energy: -145.455
where: short stacking energy: -78.883
Base-Backbone interact. energy: -0.583
local terms energy: -85.758167
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -221.809979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.809979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.849649 (E_RNA)
where:
Base-Base interactions energy: -137.920
where: short stacking energy: -66.740
Base-Backbone interact. energy: 0.715
local terms energy: -84.644240
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -322.023422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.023422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.285061 (E_RNA)
where:
Base-Base interactions energy: -215.070
where: short stacking energy: -91.719
Base-Backbone interact. energy: -0.334
local terms energy: -107.880878
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -320.997873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.997873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.175830 (E_RNA)
where:
Base-Base interactions energy: -211.829
where: short stacking energy: -100.335
Base-Backbone interact. energy: 0.426
local terms energy: -109.773191
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -29.805
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -322.594059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.594059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.602928 (E_RNA)
where:
Base-Base interactions energy: -214.964
where: short stacking energy: -94.581
Base-Backbone interact. energy: -0.394
local terms energy: -107.244249
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -322.472088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.472088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.590690 (E_RNA)
where:
Base-Base interactions energy: -220.684
where: short stacking energy: -92.008
Base-Backbone interact. energy: -0.870
local terms energy: -101.036329
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -26.121
Dist. restrs. and SS energy: 0.119 (S_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: 136
Temperature: 1.100000
Total energy: -291.846879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.846879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.896507 (E_RNA)
where:
Base-Base interactions energy: -182.788
where: short stacking energy: -90.849
Base-Backbone interact. energy: -0.061
local terms energy: -109.047348
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -27.867
Dist. restrs. and SS energy: 0.050 (S_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: 136
Temperature: 1.150000
Total energy: -257.225546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.225546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.526589 (E_RNA)
where:
Base-Base interactions energy: -168.319
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.390
local terms energy: -88.817595
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -281.424324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.424324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.505848 (E_RNA)
where:
Base-Base interactions energy: -177.256
where: short stacking energy: -91.742
Base-Backbone interact. energy: -0.018
local terms energy: -104.232418
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -235.807973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.807973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.918988 (E_RNA)
where:
Base-Base interactions energy: -145.745
where: short stacking energy: -75.576
Base-Backbone interact. energy: -0.071
local terms energy: -90.103089
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -224.281629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.281629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.282393 (E_RNA)
where:
Base-Base interactions energy: -147.532
where: short stacking energy: -69.626
Base-Backbone interact. energy: -0.808
local terms energy: -75.943076
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -219.003078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.003078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027676 (E_RNA)
where:
Base-Base interactions energy: -132.573
where: short stacking energy: -65.208
Base-Backbone interact. energy: -1.198
local terms energy: -85.257371
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. 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: -328.810594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.810594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.870630 (E_RNA)
where:
Base-Base interactions energy: -220.066
where: short stacking energy: -99.093
Base-Backbone interact. energy: 0.455
local terms energy: -109.260357
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -327.749394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.749394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.817704 (E_RNA)
where:
Base-Base interactions energy: -226.193
where: short stacking energy: -108.055
Base-Backbone interact. energy: -0.047
local terms energy: -101.577466
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -314.369593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.369593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.406224 (E_RNA)
where:
Base-Base interactions energy: -212.597
where: short stacking energy: -97.625
Base-Backbone interact. energy: -0.164
local terms energy: -101.645228
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.037 (S_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: 137
Temperature: 1.050000
Total energy: -313.910874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.910874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.910874 (E_RNA)
where:
Base-Base interactions energy: -207.917
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.314
local terms energy: -105.679360
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -28.792
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -290.867843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.867843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.867843 (E_RNA)
where:
Base-Base interactions energy: -191.159
where: short stacking energy: -93.974
Base-Backbone interact. energy: -0.665
local terms energy: -99.044439
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -27.051
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: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -261.330209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.330209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.507017 (E_RNA)
where:
Base-Base interactions energy: -164.072
where: short stacking energy: -78.508
Base-Backbone interact. energy: -0.368
local terms energy: -97.067039
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.177 (S_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: 137
Temperature: 1.200000
Total energy: -239.719617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.719617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.766126 (E_RNA)
where:
Base-Base interactions energy: -145.206
where: short stacking energy: -76.246
Base-Backbone interact. energy: 0.062
local terms energy: -94.621889
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -235.479081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.479081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.479081 (E_RNA)
where:
Base-Base interactions energy: -155.485
where: short stacking energy: -73.538
Base-Backbone interact. energy: -0.213
local terms energy: -79.780909
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -226.638304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.638304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.721551 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -75.435
Base-Backbone interact. energy: 0.988
local terms energy: -75.550005
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -221.142466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.142466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.213443 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.185
local terms energy: -79.748952
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -333.962169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.962169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.979594 (E_RNA)
where:
Base-Base interactions energy: -221.551
where: short stacking energy: -102.000
Base-Backbone interact. energy: 0.530
local terms energy: -112.959097
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -30.456
Dist. restrs. and SS energy: 0.017 (S_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: 138
Temperature: 0.950000
Total energy: -337.593144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.593144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.593144 (E_RNA)
where:
Base-Base interactions energy: -223.955
where: short stacking energy: -113.446
Base-Backbone interact. energy: -0.048
local terms energy: -113.590176
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -30.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -336.435370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.435370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.599748 (E_RNA)
where:
Base-Base interactions energy: -221.983
where: short stacking energy: -109.499
Base-Backbone interact. energy: -0.063
local terms energy: -114.553296
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -31.981
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -310.522858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.522858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.970848 (E_RNA)
where:
Base-Base interactions energy: -211.625
where: short stacking energy: -88.090
Base-Backbone interact. energy: -0.129
local terms energy: -99.217355
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -25.013
Dist. restrs. and SS energy: 0.448 (S_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: 138
Temperature: 1.100000
Total energy: -308.449584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.449584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.461714 (E_RNA)
where:
Base-Base interactions energy: -210.491
where: short stacking energy: -93.350
Base-Backbone interact. energy: -0.132
local terms energy: -97.838743
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. 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: -261.602178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.602178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.693376 (E_RNA)
where:
Base-Base interactions energy: -159.609
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.361
local terms energy: -101.722612
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. 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: -241.603990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.603990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.756676 (E_RNA)
where:
Base-Base interactions energy: -153.412
where: short stacking energy: -77.037
Base-Backbone interact. energy: -0.657
local terms energy: -87.688583
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -235.658615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.658615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.696007 (E_RNA)
where:
Base-Base interactions energy: -147.340
where: short stacking energy: -67.773
Base-Backbone interact. energy: -0.243
local terms energy: -88.112394
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -234.078420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.078420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.338425 (E_RNA)
where:
Base-Base interactions energy: -146.598
where: short stacking energy: -69.154
Base-Backbone interact. energy: 1.376
local terms energy: -89.116214
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -210.525647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.525647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.838068 (E_RNA)
where:
Base-Base interactions energy: -132.883
where: short stacking energy: -63.294
Base-Backbone interact. energy: -0.149
local terms energy: -77.805128
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -339.088629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.088629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.318658 (E_RNA)
where:
Base-Base interactions energy: -229.802
where: short stacking energy: -106.932
Base-Backbone interact. energy: -0.029
local terms energy: -109.487921
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -31.836
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -326.053889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.053889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.102431 (E_RNA)
where:
Base-Base interactions energy: -217.981
where: short stacking energy: -106.351
Base-Backbone interact. energy: -0.323
local terms energy: -107.798388
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -29.249
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -313.265939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.265939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.538826 (E_RNA)
where:
Base-Base interactions energy: -207.100
where: short stacking energy: -96.261
Base-Backbone interact. energy: -0.276
local terms energy: -106.163455
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -310.127259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.127259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.446436 (E_RNA)
where:
Base-Base interactions energy: -203.321
where: short stacking energy: -100.960
Base-Backbone interact. energy: -0.110
local terms energy: -107.015741
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -28.055
Dist. restrs. and SS energy: 0.319 (S_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: 139
Temperature: 1.100000
Total energy: -306.241979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.241979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.331119 (E_RNA)
where:
Base-Base interactions energy: -206.213
where: short stacking energy: -94.045
Base-Backbone interact. energy: 0.999
local terms energy: -101.117129
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. 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: -249.925163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.925163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.176735 (E_RNA)
where:
Base-Base interactions energy: -154.257
where: short stacking energy: -77.206
Base-Backbone interact. energy: -0.802
local terms energy: -95.117669
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. 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: -246.007158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.007158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.042310 (E_RNA)
where:
Base-Base interactions energy: -163.605
where: short stacking energy: -80.208
Base-Backbone interact. energy: 0.125
local terms energy: -82.561706
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -241.543916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.543916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.664197 (E_RNA)
where:
Base-Base interactions energy: -148.388
where: short stacking energy: -76.236
Base-Backbone interact. energy: -0.095
local terms energy: -93.181226
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -236.428895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.428895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.524562 (E_RNA)
where:
Base-Base interactions energy: -166.261
where: short stacking energy: -79.376
Base-Backbone interact. energy: -0.223
local terms energy: -70.040739
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -224.653654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.653654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.711365 (E_RNA)
where:
Base-Base interactions energy: -144.078
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.416
local terms energy: -80.217483
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -341.593849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.593849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.662278 (E_RNA)
where:
Base-Base interactions energy: -229.157
where: short stacking energy: -113.471
Base-Backbone interact. energy: 1.004
local terms energy: -113.509478
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -32.574
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -324.724814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.724814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.885926 (E_RNA)
where:
Base-Base interactions energy: -209.784
where: short stacking energy: -104.670
Base-Backbone interact. energy: -0.594
local terms energy: -114.507984
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -30.393
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -323.389343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.389343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.442797 (E_RNA)
where:
Base-Base interactions energy: -220.605
where: short stacking energy: -95.644
Base-Backbone interact. energy: -0.366
local terms energy: -102.471684
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.053 (S_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: 140
Temperature: 1.050000
Total energy: -317.514633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.514633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.838863 (E_RNA)
where:
Base-Base interactions energy: -204.826
where: short stacking energy: -95.180
Base-Backbone interact. energy: -0.182
local terms energy: -112.831161
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -28.985
Dist. restrs. and SS energy: 0.324 (S_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: 140
Temperature: 1.100000
Total energy: -285.294358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.294358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.385739 (E_RNA)
where:
Base-Base interactions energy: -186.349
where: short stacking energy: -94.274
Base-Backbone interact. energy: -0.011
local terms energy: -99.025860
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -27.942
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -265.554656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.554656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.554656 (E_RNA)
where:
Base-Base interactions energy: -170.484
where: short stacking energy: -80.477
Base-Backbone interact. energy: 0.105
local terms energy: -95.175833
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.710
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: 140
Temperature: 1.200000
Total energy: -246.167725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.167725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.508814 (E_RNA)
where:
Base-Base interactions energy: -143.162
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.078
local terms energy: -103.268557
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -241.123189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.123189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.121332 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -75.736
Base-Backbone interact. energy: 5.529
local terms energy: -75.175701
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -234.700705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.700705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.755281 (E_RNA)
where:
Base-Base interactions energy: -151.121
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.187
local terms energy: -83.447123
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -225.573659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.573659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.748348 (E_RNA)
where:
Base-Base interactions energy: -143.917
where: short stacking energy: -66.837
Base-Backbone interact. energy: 2.358
local terms energy: -84.189865
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -346.505515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.505515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.524723 (E_RNA)
where:
Base-Base interactions energy: -228.298
where: short stacking energy: -105.439
Base-Backbone interact. energy: -0.833
local terms energy: -117.393690
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -30.886
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -332.276851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.276851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.507945 (E_RNA)
where:
Base-Base interactions energy: -215.038
where: short stacking energy: -105.763
Base-Backbone interact. energy: 0.120
local terms energy: -117.590368
where:
bonds (distance) C4'-P energy: -21.437
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -31.836
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -320.621903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.621903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.713371 (E_RNA)
where:
Base-Base interactions energy: -223.641
where: short stacking energy: -99.674
Base-Backbone interact. energy: -0.850
local terms energy: -96.222522
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.091 (S_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: 141
Temperature: 1.050000
Total energy: -274.281898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.281898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.712286 (E_RNA)
where:
Base-Base interactions energy: -170.078
where: short stacking energy: -96.537
Base-Backbone interact. energy: -0.313
local terms energy: -104.321587
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -29.001
Dist. restrs. and SS energy: 0.430 (S_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: 141
Temperature: 1.100000
Total energy: -301.987444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.987444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.034532 (E_RNA)
where:
Base-Base interactions energy: -199.113
where: short stacking energy: -96.863
Base-Backbone interact. energy: -0.129
local terms energy: -103.792246
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 1.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -274.008949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.008949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.041870 (E_RNA)
where:
Base-Base interactions energy: -179.633
where: short stacking energy: -79.211
Base-Backbone interact. energy: 0.668
local terms energy: -95.077738
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -246.865940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.865940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.892042 (E_RNA)
where:
Base-Base interactions energy: -157.645
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.075
local terms energy: -89.172611
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -234.820730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.820730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.844886 (E_RNA)
where:
Base-Base interactions energy: -130.912
where: short stacking energy: -63.536
Base-Backbone interact. energy: -0.201
local terms energy: -103.732334
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -239.214556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.214556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.433198 (E_RNA)
where:
Base-Base interactions energy: -145.310
where: short stacking energy: -68.118
Base-Backbone interact. energy: -0.063
local terms energy: -94.059681
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -241.654874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.654874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.763728 (E_RNA)
where:
Base-Base interactions energy: -150.241
where: short stacking energy: -68.967
Base-Backbone interact. energy: 0.115
local terms energy: -91.638058
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -346.656721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.656721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.837943 (E_RNA)
where:
Base-Base interactions energy: -225.076
where: short stacking energy: -115.779
Base-Backbone interact. energy: -0.001
local terms energy: -121.760432
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -32.991
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -329.188649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.188649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.282495 (E_RNA)
where:
Base-Base interactions energy: -215.851
where: short stacking energy: -111.419
Base-Backbone interact. energy: -0.011
local terms energy: -113.420694
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -323.012804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.012804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.012804 (E_RNA)
where:
Base-Base interactions energy: -223.005
where: short stacking energy: -92.956
Base-Backbone interact. energy: -1.080
local terms energy: -98.928253
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -28.620
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: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -271.360767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.360767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.416430 (E_RNA)
where:
Base-Base interactions energy: -172.352
where: short stacking energy: -85.225
Base-Backbone interact. energy: -0.507
local terms energy: -98.557128
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.056 (S_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: 142
Temperature: 1.100000
Total energy: -294.341916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.341916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.789253 (E_RNA)
where:
Base-Base interactions energy: -199.233
where: short stacking energy: -96.142
Base-Backbone interact. energy: -0.084
local terms energy: -95.472197
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -28.515
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -259.364371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.364371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.614583 (E_RNA)
where:
Base-Base interactions energy: -172.685
where: short stacking energy: -85.038
Base-Backbone interact. energy: -0.077
local terms energy: -86.852850
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -252.581183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.581183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.599087 (E_RNA)
where:
Base-Base interactions energy: -164.071
where: short stacking energy: -82.279
Base-Backbone interact. energy: 0.923
local terms energy: -89.451039
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -239.326896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.326896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.327985 (E_RNA)
where:
Base-Base interactions energy: -150.601
where: short stacking energy: -79.024
Base-Backbone interact. energy: -0.182
local terms energy: -88.545117
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -226.579295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.579295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.775885 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -72.042
Base-Backbone interact. energy: -0.039
local terms energy: -84.303279
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -247.586459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.586459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.759165 (E_RNA)
where:
Base-Base interactions energy: -165.555
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.077
local terms energy: -82.127249
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -347.364804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.364804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.538608 (E_RNA)
where:
Base-Base interactions energy: -234.611
where: short stacking energy: -115.188
Base-Backbone interact. energy: -0.001
local terms energy: -112.926487
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -33.228
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -328.515979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.515979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.515979 (E_RNA)
where:
Base-Base interactions energy: -216.941
where: short stacking energy: -105.503
Base-Backbone interact. energy: 1.547
local terms energy: -113.121993
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -323.555247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.555247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.557245 (E_RNA)
where:
Base-Base interactions energy: -214.121
where: short stacking energy: -94.982
Base-Backbone interact. energy: -0.073
local terms energy: -109.363787
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.002 (S_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: 143
Temperature: 1.050000
Total energy: -314.735083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.735083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.412972 (E_RNA)
where:
Base-Base interactions energy: -201.111
where: short stacking energy: -104.701
Base-Backbone interact. energy: -0.476
local terms energy: -113.825651
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -33.241
Dist. restrs. and SS energy: 0.678 (S_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: 143
Temperature: 1.100000
Total energy: -282.053156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.053156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.245840 (E_RNA)
where:
Base-Base interactions energy: -178.200
where: short stacking energy: -93.339
Base-Backbone interact. energy: -0.086
local terms energy: -103.959979
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -25.285
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -258.725593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.725593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.771777 (E_RNA)
where:
Base-Base interactions energy: -170.525
where: short stacking energy: -93.133
Base-Backbone interact. energy: 2.922
local terms energy: -91.168845
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -25.937
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -251.181269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.181269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.268534 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -73.798
Base-Backbone interact. energy: -0.207
local terms energy: -101.299903
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -225.348542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.348542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.371252 (E_RNA)
where:
Base-Base interactions energy: -137.756
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.133
local terms energy: -87.482736
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -230.767456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.767456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.845944 (E_RNA)
where:
Base-Base interactions energy: -146.515
where: short stacking energy: -74.845
Base-Backbone interact. energy: 0.146
local terms energy: -84.476579
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -233.317326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.317326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.410081 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -71.217
Base-Backbone interact. energy: -0.441
local terms energy: -90.546140
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -332.689870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.689870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.689870 (E_RNA)
where:
Base-Base interactions energy: -223.329
where: short stacking energy: -108.639
Base-Backbone interact. energy: -0.701
local terms energy: -108.660116
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -334.549697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.549697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.563842 (E_RNA)
where:
Base-Base interactions energy: -219.543
where: short stacking energy: -91.782
Base-Backbone interact. energy: 0.267
local terms energy: -115.288114
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -30.745
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -312.539219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.539219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.412923 (E_RNA)
where:
Base-Base interactions energy: -204.172
where: short stacking energy: -92.141
Base-Backbone interact. energy: -0.050
local terms energy: -109.191412
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -26.608
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -315.626638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.626638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.626638 (E_RNA)
where:
Base-Base interactions energy: -206.626
where: short stacking energy: -97.754
Base-Backbone interact. energy: 0.318
local terms energy: -109.318936
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -298.547477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.547477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.018732 (E_RNA)
where:
Base-Base interactions energy: -205.156
where: short stacking energy: -89.102
Base-Backbone interact. energy: -0.195
local terms energy: -93.667739
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -250.800842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.800842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.800842 (E_RNA)
where:
Base-Base interactions energy: -161.677
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.256
local terms energy: -88.867934
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -225.265034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.265034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.717697 (E_RNA)
where:
Base-Base interactions energy: -134.162
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.298
local terms energy: -91.257663
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -244.297999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.297999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.424749 (E_RNA)
where:
Base-Base interactions energy: -163.967
where: short stacking energy: -69.304
Base-Backbone interact. energy: -0.343
local terms energy: -80.114774
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -234.817500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.817500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.821714 (E_RNA)
where:
Base-Base interactions energy: -152.021
where: short stacking energy: -73.903
Base-Backbone interact. energy: -0.383
local terms energy: -82.417511
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -230.274687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.274687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.353372 (E_RNA)
where:
Base-Base interactions energy: -141.338
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.816
local terms energy: -88.199416
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -340.936686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.936686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.036587 (E_RNA)
where:
Base-Base interactions energy: -232.621
where: short stacking energy: -101.656
Base-Backbone interact. energy: -0.272
local terms energy: -108.143535
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -28.234
Dist. restrs. and SS energy: 0.100 (S_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: 145
Temperature: 0.950000
Total energy: -313.015055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.007232 (E_RNA)
where:
Base-Base interactions energy: -217.691
where: short stacking energy: -97.678
Base-Backbone interact. energy: -0.182
local terms energy: -96.134090
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -28.547
Dist. restrs. and SS energy: 0.992 (S_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: 145
Temperature: 1.000000
Total energy: -330.945042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.945042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.052019 (E_RNA)
where:
Base-Base interactions energy: -216.671
where: short stacking energy: -99.898
Base-Backbone interact. energy: -0.754
local terms energy: -113.626818
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -30.145
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -319.694402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.694402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.722743 (E_RNA)
where:
Base-Base interactions energy: -216.137
where: short stacking energy: -103.622
Base-Backbone interact. energy: -0.063
local terms energy: -103.522323
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.028 (S_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: 145
Temperature: 1.100000
Total energy: -310.744482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.744482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.900422 (E_RNA)
where:
Base-Base interactions energy: -209.046
where: short stacking energy: -96.589
Base-Backbone interact. energy: -0.027
local terms energy: -101.827630
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -33.478
Dist. restrs. and SS energy: 0.156 (S_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: 145
Temperature: 1.150000
Total energy: -268.551774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.551774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.564255 (E_RNA)
where:
Base-Base interactions energy: -171.245
where: short stacking energy: -81.476
Base-Backbone interact. energy: 0.197
local terms energy: -97.515912
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.012 (S_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: 145
Temperature: 1.200000
Total energy: -231.788016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.788016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.066719 (E_RNA)
where:
Base-Base interactions energy: -148.618
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.037
local terms energy: -83.411996
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -244.481140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.481140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.523326 (E_RNA)
where:
Base-Base interactions energy: -154.670
where: short stacking energy: -80.247
Base-Backbone interact. energy: -0.146
local terms energy: -89.707275
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -246.182374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.182374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.182374 (E_RNA)
where:
Base-Base interactions energy: -159.696
where: short stacking energy: -74.040
Base-Backbone interact. energy: -1.145
local terms energy: -85.341547
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -207.936773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.936773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.030650 (E_RNA)
where:
Base-Base interactions energy: -123.863
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.224
local terms energy: -83.944069
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. 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: -327.025669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.025669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.273659 (E_RNA)
where:
Base-Base interactions energy: -218.321
where: short stacking energy: -99.842
Base-Backbone interact. energy: -0.759
local terms energy: -110.193771
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -328.745003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.745003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.781854 (E_RNA)
where:
Base-Base interactions energy: -230.869
where: short stacking energy: -90.778
Base-Backbone interact. energy: -0.143
local terms energy: -97.769044
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.037 (S_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: 146
Temperature: 1.000000
Total energy: -327.656170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.656170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.656170 (E_RNA)
where:
Base-Base interactions energy: -217.146
where: short stacking energy: -103.871
Base-Backbone interact. energy: -0.001
local terms energy: -110.508594
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -13.721
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: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -308.638247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.638247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.678058 (E_RNA)
where:
Base-Base interactions energy: -204.677
where: short stacking energy: -89.209
Base-Backbone interact. energy: -0.571
local terms energy: -103.429587
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.040 (S_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: 146
Temperature: 1.100000
Total energy: -298.398317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.398317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.419303 (E_RNA)
where:
Base-Base interactions energy: -203.231
where: short stacking energy: -96.380
Base-Backbone interact. energy: -0.243
local terms energy: -94.945677
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.021 (S_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: 146
Temperature: 1.150000
Total energy: -273.260632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.260632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.287193 (E_RNA)
where:
Base-Base interactions energy: -172.517
where: short stacking energy: -87.990
Base-Backbone interact. energy: -0.838
local terms energy: -99.932452
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. 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: -245.080013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.080013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.094709 (E_RNA)
where:
Base-Base interactions energy: -157.381
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.206
local terms energy: -87.508277
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. 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: -241.075405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.075405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.280766 (E_RNA)
where:
Base-Base interactions energy: -154.343
where: short stacking energy: -80.751
Base-Backbone interact. energy: -0.085
local terms energy: -86.852215
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.205 (S_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: 146
Temperature: 1.300000
Total energy: -236.721255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.721255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.721255 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.485
local terms energy: -91.634349
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -14.411
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: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -235.028634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.028634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.080363 (E_RNA)
where:
Base-Base interactions energy: -148.560
where: short stacking energy: -73.458
Base-Backbone interact. energy: -0.122
local terms energy: -86.398050
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. 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: -327.899997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.899997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.858519 (E_RNA)
where:
Base-Base interactions energy: -210.348
where: short stacking energy: -100.429
Base-Backbone interact. energy: -0.091
local terms energy: -118.420205
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -332.488216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.488216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.548118 (E_RNA)
where:
Base-Base interactions energy: -227.298
where: short stacking energy: -109.814
Base-Backbone interact. energy: -0.007
local terms energy: -105.242859
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -319.224716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.224716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.270488 (E_RNA)
where:
Base-Base interactions energy: -213.530
where: short stacking energy: -95.765
Base-Backbone interact. energy: -1.164
local terms energy: -104.577131
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -311.315996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.315996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.327201 (E_RNA)
where:
Base-Base interactions energy: -198.383
where: short stacking energy: -92.628
Base-Backbone interact. energy: -0.595
local terms energy: -112.349148
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -29.281
Dist. restrs. and SS energy: 0.011 (S_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: 147
Temperature: 1.100000
Total energy: -310.128542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.128542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.664760 (E_RNA)
where:
Base-Base interactions energy: -207.922
where: short stacking energy: -89.385
Base-Backbone interact. energy: -0.154
local terms energy: -103.588495
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 1.536 (S_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: 147
Temperature: 1.150000
Total energy: -255.034523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.034523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.075673 (E_RNA)
where:
Base-Base interactions energy: -162.692
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.181
local terms energy: -92.202656
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.041 (S_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: 147
Temperature: 1.200000
Total energy: -291.444592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.444592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.473986 (E_RNA)
where:
Base-Base interactions energy: -199.959
where: short stacking energy: -86.920
Base-Backbone interact. energy: -0.603
local terms energy: -90.912030
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 0.029 (S_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: 147
Temperature: 1.250000
Total energy: -224.457304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.457304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.591668 (E_RNA)
where:
Base-Base interactions energy: -139.864
where: short stacking energy: -70.447
Base-Backbone interact. energy: -0.301
local terms energy: -84.426834
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -232.954567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.954567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.011537 (E_RNA)
where:
Base-Base interactions energy: -144.176
where: short stacking energy: -68.438
Base-Backbone interact. energy: -0.279
local terms energy: -88.556427
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.057 (S_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: 147
Temperature: 1.350000
Total energy: -222.011564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.065312 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -64.618
Base-Backbone interact. energy: -0.221
local terms energy: -84.986765
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -1.125
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -333.017934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.017934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.157052 (E_RNA)
where:
Base-Base interactions energy: -224.876
where: short stacking energy: -102.257
Base-Backbone interact. energy: -0.721
local terms energy: -107.559582
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -28.656
Dist. restrs. and SS energy: 0.139 (S_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: -327.121908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.121908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.243452 (E_RNA)
where:
Base-Base interactions energy: -217.928
where: short stacking energy: -101.201
Base-Backbone interact. energy: -0.047
local terms energy: -110.268324
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -311.273829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.273829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.275657 (E_RNA)
where:
Base-Base interactions energy: -205.755
where: short stacking energy: -87.008
Base-Backbone interact. energy: -0.516
local terms energy: -105.004182
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -319.548561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.548561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.550997 (E_RNA)
where:
Base-Base interactions energy: -216.802
where: short stacking energy: -91.852
Base-Backbone interact. energy: -0.313
local terms energy: -102.435435
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.002 (S_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: 148
Temperature: 1.100000
Total energy: -303.993179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.993179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.014791 (E_RNA)
where:
Base-Base interactions energy: -197.857
where: short stacking energy: -99.004
Base-Backbone interact. energy: -0.155
local terms energy: -107.002612
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 1.022 (S_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: 148
Temperature: 1.150000
Total energy: -247.628924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.628924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.759389 (E_RNA)
where:
Base-Base interactions energy: -156.154
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.343
local terms energy: -91.262301
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -263.908217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.908217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.941313 (E_RNA)
where:
Base-Base interactions energy: -166.259
where: short stacking energy: -79.737
Base-Backbone interact. energy: -0.086
local terms energy: -97.596658
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.033 (S_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: 148
Temperature: 1.250000
Total energy: -240.462649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.462649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.462649 (E_RNA)
where:
Base-Base interactions energy: -162.430
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.279
local terms energy: -77.753964
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -14.855
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: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -235.058690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.058690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.126052 (E_RNA)
where:
Base-Base interactions energy: -158.411
where: short stacking energy: -78.385
Base-Backbone interact. energy: 0.259
local terms energy: -76.974513
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.067 (S_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: 148
Temperature: 1.350000
Total energy: -229.535268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.535268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.703767 (E_RNA)
where:
Base-Base interactions energy: -147.000
where: short stacking energy: -71.611
Base-Backbone interact. energy: -0.294
local terms energy: -82.410642
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -319.408594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.408594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.408594 (E_RNA)
where:
Base-Base interactions energy: -216.584
where: short stacking energy: -86.245
Base-Backbone interact. energy: -0.258
local terms energy: -102.566589
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -325.117449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.117449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.405525 (E_RNA)
where:
Base-Base interactions energy: -223.727
where: short stacking energy: -105.321
Base-Backbone interact. energy: -0.020
local terms energy: -102.657774
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -29.105
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -308.661952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.661952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.908614 (E_RNA)
where:
Base-Base interactions energy: -214.517
where: short stacking energy: -86.559
Base-Backbone interact. energy: -0.093
local terms energy: -94.297744
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.247 (S_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: 149
Temperature: 1.050000
Total energy: -310.639592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.639592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.639592 (E_RNA)
where:
Base-Base interactions energy: -206.805
where: short stacking energy: -91.113
Base-Backbone interact. energy: 0.330
local terms energy: -104.164244
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -303.096041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.096041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.168196 (E_RNA)
where:
Base-Base interactions energy: -205.579
where: short stacking energy: -92.026
Base-Backbone interact. energy: -1.122
local terms energy: -96.466780
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -285.307722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.307722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.410394 (E_RNA)
where:
Base-Base interactions energy: -189.884
where: short stacking energy: -89.295
Base-Backbone interact. energy: 0.512
local terms energy: -96.038077
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -244.088793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.088793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.089614 (E_RNA)
where:
Base-Base interactions energy: -153.916
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.035
local terms energy: -90.138257
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -241.311533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.311533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.311533 (E_RNA)
where:
Base-Base interactions energy: -148.989
where: short stacking energy: -71.088
Base-Backbone interact. energy: 0.073
local terms energy: -92.395580
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -229.869023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.869023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.965630 (E_RNA)
where:
Base-Base interactions energy: -144.997
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.154
local terms energy: -84.815229
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.097 (S_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: 149
Temperature: 1.350000
Total energy: -211.342016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.342016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.495360 (E_RNA)
where:
Base-Base interactions energy: -135.957
where: short stacking energy: -66.578
Base-Backbone interact. energy: 0.374
local terms energy: -75.912610
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -11.564
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -330.418003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.418003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.480662 (E_RNA)
where:
Base-Base interactions energy: -220.552
where: short stacking energy: -110.113
Base-Backbone interact. energy: -0.013
local terms energy: -109.915336
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -27.719
Dist. restrs. and SS energy: 0.063 (S_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: -316.523710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.523710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.716014 (E_RNA)
where:
Base-Base interactions energy: -214.983
where: short stacking energy: -101.224
Base-Backbone interact. energy: -0.115
local terms energy: -102.618256
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -28.624
Dist. restrs. and SS energy: 1.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -312.671548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.671548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.674553 (E_RNA)
where:
Base-Base interactions energy: -210.976
where: short stacking energy: -89.311
Base-Backbone interact. energy: -0.078
local terms energy: -101.620194
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.003 (S_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: 150
Temperature: 1.050000
Total energy: -308.741332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.741332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.500742 (E_RNA)
where:
Base-Base interactions energy: -221.166
where: short stacking energy: -91.119
Base-Backbone interact. energy: -0.153
local terms energy: -88.181569
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -24.434
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -298.547202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.547202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.618084 (E_RNA)
where:
Base-Base interactions energy: -196.895
where: short stacking energy: -88.259
Base-Backbone interact. energy: 0.142
local terms energy: -101.864316
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.071 (S_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: 150
Temperature: 1.150000
Total energy: -267.454096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.454096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.534154 (E_RNA)
where:
Base-Base interactions energy: -172.942
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.138
local terms energy: -94.454660
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -232.422032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.422032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.465696 (E_RNA)
where:
Base-Base interactions energy: -140.572
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.167
local terms energy: -91.726771
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -232.998545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.998545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.064182 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -67.972
Base-Backbone interact. energy: 0.300
local terms energy: -84.999381
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -235.606294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.606294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.638624 (E_RNA)
where:
Base-Base interactions energy: -149.666
where: short stacking energy: -76.563
Base-Backbone interact. energy: 0.909
local terms energy: -86.882493
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -210.699339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.699339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.752887 (E_RNA)
where:
Base-Base interactions energy: -126.167
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.095
local terms energy: -84.490829
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -334.662112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.662112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.666521 (E_RNA)
where:
Base-Base interactions energy: -218.117
where: short stacking energy: -106.993
Base-Backbone interact. energy: -0.028
local terms energy: -116.521198
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -30.735
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -324.523857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.523857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.544964 (E_RNA)
where:
Base-Base interactions energy: -214.141
where: short stacking energy: -108.192
Base-Backbone interact. energy: -0.188
local terms energy: -110.216304
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -28.221
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -329.097558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.097558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.176246 (E_RNA)
where:
Base-Base interactions energy: -218.865
where: short stacking energy: -99.016
Base-Backbone interact. energy: -0.247
local terms energy: -110.064232
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -29.391
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -275.749301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.749301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.767240 (E_RNA)
where:
Base-Base interactions energy: -178.635
where: short stacking energy: -82.364
Base-Backbone interact. energy: -0.765
local terms energy: -96.366650
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.018 (S_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: 151
Temperature: 1.100000
Total energy: -278.439076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.439076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.693001 (E_RNA)
where:
Base-Base interactions energy: -174.017
where: short stacking energy: -91.260
Base-Backbone interact. energy: -0.144
local terms energy: -105.532091
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 1.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -266.647912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.647912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.694194 (E_RNA)
where:
Base-Base interactions energy: -171.200
where: short stacking energy: -89.485
Base-Backbone interact. energy: -0.003
local terms energy: -95.490633
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.046 (S_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: 151
Temperature: 1.200000
Total energy: -252.122799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.122799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.226057 (E_RNA)
where:
Base-Base interactions energy: -155.691
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.392
local terms energy: -96.143562
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. 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: -257.620955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.620955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.922312 (E_RNA)
where:
Base-Base interactions energy: -170.250
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.173
local terms energy: -87.498628
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -249.018772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.018772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.037398 (E_RNA)
where:
Base-Base interactions energy: -164.356
where: short stacking energy: -74.975
Base-Backbone interact. energy: -0.046
local terms energy: -84.635223
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -230.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.877617 (E_RNA)
where:
Base-Base interactions energy: -153.611
where: short stacking energy: -77.904
Base-Backbone interact. energy: -0.165
local terms energy: -77.102308
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -339.913242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.913242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.004765 (E_RNA)
where:
Base-Base interactions energy: -229.133
where: short stacking energy: -108.810
Base-Backbone interact. energy: -0.001
local terms energy: -110.871055
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -30.790
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -332.168505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.168505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.168505 (E_RNA)
where:
Base-Base interactions energy: -223.652
where: short stacking energy: -100.726
Base-Backbone interact. energy: -0.154
local terms energy: -108.362030
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -28.018
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: 152
Temperature: 1.000000
Total energy: -324.090522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.090522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.143408 (E_RNA)
where:
Base-Base interactions energy: -209.821
where: short stacking energy: -95.503
Base-Backbone interact. energy: -0.761
local terms energy: -113.561589
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -26.392
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -282.837851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.837851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.843495 (E_RNA)
where:
Base-Base interactions energy: -186.164
where: short stacking energy: -82.564
Base-Backbone interact. energy: -0.077
local terms energy: -96.602461
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -246.635920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.635920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.742322 (E_RNA)
where:
Base-Base interactions energy: -150.406
where: short stacking energy: -74.562
Base-Backbone interact. energy: -0.401
local terms energy: -95.935869
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -273.456416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.456416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.440513 (E_RNA)
where:
Base-Base interactions energy: -186.991
where: short stacking energy: -86.280
Base-Backbone interact. energy: -0.662
local terms energy: -86.786970
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.984 (S_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: 152
Temperature: 1.200000
Total energy: -238.914655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.914655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.140435 (E_RNA)
where:
Base-Base interactions energy: -156.061
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.198
local terms energy: -82.881370
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.226 (S_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: 152
Temperature: 1.250000
Total energy: -249.120264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.120264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.247737 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.223
local terms energy: -89.525695
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -232.441039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.441039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.758693 (E_RNA)
where:
Base-Base interactions energy: -143.240
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.863
local terms energy: -88.655408
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -219.949118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.949118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.140560 (E_RNA)
where:
Base-Base interactions energy: -134.302
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.271
local terms energy: -85.567557
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -333.187773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.187773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.450535 (E_RNA)
where:
Base-Base interactions energy: -221.991
where: short stacking energy: -104.310
Base-Backbone interact. energy: -0.007
local terms energy: -111.453350
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.263 (S_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: 153
Temperature: 0.950000
Total energy: -346.036824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.036824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.064693 (E_RNA)
where:
Base-Base interactions energy: -227.740
where: short stacking energy: -109.934
Base-Backbone interact. energy: 0.352
local terms energy: -118.676520
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -31.747
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -329.211221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.211221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.239973 (E_RNA)
where:
Base-Base interactions energy: -223.580
where: short stacking energy: -95.259
Base-Backbone interact. energy: -0.329
local terms energy: -105.330797
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -293.608160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.608160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.174401 (E_RNA)
where:
Base-Base interactions energy: -183.830
where: short stacking energy: -79.594
Base-Backbone interact. energy: -0.193
local terms energy: -110.151491
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -244.736655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.736655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.799795 (E_RNA)
where:
Base-Base interactions energy: -148.922
where: short stacking energy: -71.089
Base-Backbone interact. energy: -0.914
local terms energy: -94.964156
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -251.331221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.331221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.331221 (E_RNA)
where:
Base-Base interactions energy: -154.380
where: short stacking energy: -79.088
Base-Backbone interact. energy: 0.993
local terms energy: -97.944129
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -246.860393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.860393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.868635 (E_RNA)
where:
Base-Base interactions energy: -154.885
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.059
local terms energy: -92.925374
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 1.008 (S_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: 153
Temperature: 1.250000
Total energy: -257.896185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.896185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.016882 (E_RNA)
where:
Base-Base interactions energy: -178.715
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.838
local terms energy: -78.464251
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -244.500646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.500646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.733562 (E_RNA)
where:
Base-Base interactions energy: -162.052
where: short stacking energy: -78.157
Base-Backbone interact. energy: -0.082
local terms energy: -82.599420
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -25.745
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -224.285547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.285547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.639680 (E_RNA)
where:
Base-Base interactions energy: -138.563
where: short stacking energy: -66.556
Base-Backbone interact. energy: -0.179
local terms energy: -85.897559
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -336.442059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.442059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.577692 (E_RNA)
where:
Base-Base interactions energy: -214.829
where: short stacking energy: -107.404
Base-Backbone interact. energy: -0.448
local terms energy: -121.301311
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.136 (S_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: 154
Temperature: 0.950000
Total energy: -335.007379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.007379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.038975 (E_RNA)
where:
Base-Base interactions energy: -218.529
where: short stacking energy: -98.114
Base-Backbone interact. energy: -0.115
local terms energy: -116.395457
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -327.685540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.685540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.769189 (E_RNA)
where:
Base-Base interactions energy: -227.479
where: short stacking energy: -108.118
Base-Backbone interact. energy: -0.003
local terms energy: -100.287588
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -27.161
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -275.930697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.930697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.965207 (E_RNA)
where:
Base-Base interactions energy: -182.498
where: short stacking energy: -81.110
Base-Backbone interact. energy: -0.048
local terms energy: -93.419673
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -271.478588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.478588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.670272 (E_RNA)
where:
Base-Base interactions energy: -174.643
where: short stacking energy: -98.605
Base-Backbone interact. energy: -0.089
local terms energy: -96.938292
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -268.495832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.495832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.769386 (E_RNA)
where:
Base-Base interactions energy: -174.091
where: short stacking energy: -84.720
Base-Backbone interact. energy: -1.054
local terms energy: -93.623945
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.274 (S_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: 154
Temperature: 1.200000
Total energy: -246.097648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.097648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.201852 (E_RNA)
where:
Base-Base interactions energy: -153.655
where: short stacking energy: -74.389
Base-Backbone interact. energy: 0.993
local terms energy: -93.539643
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. 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: -238.801852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.801852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.932689 (E_RNA)
where:
Base-Base interactions energy: -152.569
where: short stacking energy: -70.925
Base-Backbone interact. energy: -0.158
local terms energy: -86.205486
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -231.597341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.597341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.781709 (E_RNA)
where:
Base-Base interactions energy: -152.312
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.407
local terms energy: -79.062941
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -208.727084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.727084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.887546 (E_RNA)
where:
Base-Base interactions energy: -126.835
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.245
local terms energy: -81.807618
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -338.003103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.003103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.062767 (E_RNA)
where:
Base-Base interactions energy: -220.845
where: short stacking energy: -107.419
Base-Backbone interact. energy: -0.030
local terms energy: -117.188047
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -32.323
Dist. restrs. and SS energy: 0.060 (S_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: 155
Temperature: 0.950000
Total energy: -332.526826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.526826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.161706 (E_RNA)
where:
Base-Base interactions energy: -222.276
where: short stacking energy: -98.952
Base-Backbone interact. energy: 0.064
local terms energy: -110.949790
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -326.956712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.956712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.956712 (E_RNA)
where:
Base-Base interactions energy: -223.180
where: short stacking energy: -90.371
Base-Backbone interact. energy: -0.224
local terms energy: -103.552596
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -26.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -270.004784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.004784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.082372 (E_RNA)
where:
Base-Base interactions energy: -165.869
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.184
local terms energy: -104.029363
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -257.665729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.665729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.689943 (E_RNA)
where:
Base-Base interactions energy: -161.513
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.775
local terms energy: -95.401366
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.024 (S_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: 155
Temperature: 1.150000
Total energy: -250.170576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.170576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.227970 (E_RNA)
where:
Base-Base interactions energy: -152.279
where: short stacking energy: -77.873
Base-Backbone interact. energy: -0.868
local terms energy: -97.081191
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -257.048355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.048355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.104745 (E_RNA)
where:
Base-Base interactions energy: -159.101
where: short stacking energy: -74.178
Base-Backbone interact. energy: -0.504
local terms energy: -97.500585
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.056 (S_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: 155
Temperature: 1.250000
Total energy: -251.429078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.429078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.682375 (E_RNA)
where:
Base-Base interactions energy: -158.911
where: short stacking energy: -77.800
Base-Backbone interact. energy: -1.159
local terms energy: -91.613016
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. 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: -236.375858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.375858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.375858 (E_RNA)
where:
Base-Base interactions energy: -157.343
where: short stacking energy: -75.698
Base-Backbone interact. energy: -0.310
local terms energy: -78.722776
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.858
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: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -195.459355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.459355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560097 (E_RNA)
where:
Base-Base interactions energy: -125.719
where: short stacking energy: -59.113
Base-Backbone interact. energy: 2.603
local terms energy: -72.444945
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -331.419579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.419579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.462899 (E_RNA)
where:
Base-Base interactions energy: -218.317
where: short stacking energy: -106.781
Base-Backbone interact. energy: -0.052
local terms energy: -113.093395
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -31.849
Dist. restrs. and SS energy: 0.043 (S_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: -332.339614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.339614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.385497 (E_RNA)
where:
Base-Base interactions energy: -227.466
where: short stacking energy: -99.055
Base-Backbone interact. energy: -0.133
local terms energy: -104.785829
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -25.753
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -316.716569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.716569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.822134 (E_RNA)
where:
Base-Base interactions energy: -210.072
where: short stacking energy: -92.054
Base-Backbone interact. energy: -0.644
local terms energy: -106.106720
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -27.184
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -275.465815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.465815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.686812 (E_RNA)
where:
Base-Base interactions energy: -172.737
where: short stacking energy: -93.959
Base-Backbone interact. energy: 1.169
local terms energy: -104.118211
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -281.814243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.814243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.827044 (E_RNA)
where:
Base-Base interactions energy: -196.164
where: short stacking energy: -86.494
Base-Backbone interact. energy: 0.440
local terms energy: -86.103764
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.013 (S_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: 156
Temperature: 1.150000
Total energy: -245.075747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.075747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.146763 (E_RNA)
where:
Base-Base interactions energy: -157.875
where: short stacking energy: -71.997
Base-Backbone interact. energy: 1.768
local terms energy: -89.039462
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.071 (S_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: 156
Temperature: 1.200000
Total energy: -231.855458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.855458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.897764 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.126
local terms energy: -90.810059
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -240.079702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.079702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.223124 (E_RNA)
where:
Base-Base interactions energy: -154.370
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.161
local terms energy: -85.692680
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. 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: -224.708721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.708721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.992757 (E_RNA)
where:
Base-Base interactions energy: -126.257
where: short stacking energy: -49.937
Base-Backbone interact. energy: -0.154
local terms energy: -98.581880
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -221.720404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.720404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.730373 (E_RNA)
where:
Base-Base interactions energy: -141.521
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.084
local terms energy: -80.125951
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -335.724977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.724977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.729813 (E_RNA)
where:
Base-Base interactions energy: -223.062
where: short stacking energy: -102.973
Base-Backbone interact. energy: -0.256
local terms energy: -112.411554
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -34.471
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -330.637728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.637728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.648740 (E_RNA)
where:
Base-Base interactions energy: -220.660
where: short stacking energy: -97.436
Base-Backbone interact. energy: -0.060
local terms energy: -109.927939
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -321.753484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.753484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.803547 (E_RNA)
where:
Base-Base interactions energy: -214.549
where: short stacking energy: -95.178
Base-Backbone interact. energy: 0.228
local terms energy: -107.482801
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -273.177669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.177669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.221035 (E_RNA)
where:
Base-Base interactions energy: -170.968
where: short stacking energy: -87.011
Base-Backbone interact. energy: -0.096
local terms energy: -102.156617
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -271.504696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.504696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.903354 (E_RNA)
where:
Base-Base interactions energy: -172.136
where: short stacking energy: -87.094
Base-Backbone interact. energy: -0.027
local terms energy: -99.741296
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.399 (S_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: 157
Temperature: 1.150000
Total energy: -240.247310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.247310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.540621 (E_RNA)
where:
Base-Base interactions energy: -146.928
where: short stacking energy: -76.874
Base-Backbone interact. energy: -0.438
local terms energy: -93.173891
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.293 (S_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: 157
Temperature: 1.200000
Total energy: -249.076771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.076771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.337857 (E_RNA)
where:
Base-Base interactions energy: -154.498
where: short stacking energy: -77.671
Base-Backbone interact. energy: -0.983
local terms energy: -93.856984
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -247.101953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.101953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.488009 (E_RNA)
where:
Base-Base interactions energy: -156.975
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.475
local terms energy: -90.037975
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. 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: -233.666497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.730283 (E_RNA)
where:
Base-Base interactions energy: -141.834
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.025
local terms energy: -91.871624
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -220.102213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.102213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.231028 (E_RNA)
where:
Base-Base interactions energy: -141.339
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.287
local terms energy: -78.605556
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -331.834858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.864269 (E_RNA)
where:
Base-Base interactions energy: -224.160
where: short stacking energy: -102.127
Base-Backbone interact. energy: -0.130
local terms energy: -107.574211
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -332.120332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.120332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.193213 (E_RNA)
where:
Base-Base interactions energy: -224.251
where: short stacking energy: -107.529
Base-Backbone interact. energy: -0.039
local terms energy: -107.903875
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.073 (S_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: 158
Temperature: 1.000000
Total energy: -317.561803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.561803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.215130 (E_RNA)
where:
Base-Base interactions energy: -217.965
where: short stacking energy: -104.730
Base-Backbone interact. energy: -0.409
local terms energy: -99.841515
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -28.678
Dist. restrs. and SS energy: 0.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -282.008023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.008023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.023647 (E_RNA)
where:
Base-Base interactions energy: -182.985
where: short stacking energy: -88.238
Base-Backbone interact. energy: -0.182
local terms energy: -98.856643
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -262.063506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.063506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.097778 (E_RNA)
where:
Base-Base interactions energy: -174.050
where: short stacking energy: -81.366
Base-Backbone interact. energy: 0.341
local terms energy: -88.388440
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.034 (S_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: 158
Temperature: 1.150000
Total energy: -251.748714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.748714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.748714 (E_RNA)
where:
Base-Base interactions energy: -158.293
where: short stacking energy: -77.698
Base-Backbone interact. energy: -0.920
local terms energy: -92.535222
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -243.339493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.339493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.727755 (E_RNA)
where:
Base-Base interactions energy: -159.741
where: short stacking energy: -84.911
Base-Backbone interact. energy: -0.415
local terms energy: -83.572189
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -244.749582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.749582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.818039 (E_RNA)
where:
Base-Base interactions energy: -158.507
where: short stacking energy: -76.398
Base-Backbone interact. energy: -0.322
local terms energy: -85.989187
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -232.168922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.168922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.259683 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -72.619
Base-Backbone interact. energy: -0.119
local terms energy: -82.715135
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -237.541478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.541478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.762758 (E_RNA)
where:
Base-Base interactions energy: -155.594
where: short stacking energy: -73.242
Base-Backbone interact. energy: -0.434
local terms energy: -81.735228
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -340.572049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.572049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.620498 (E_RNA)
where:
Base-Base interactions energy: -223.017
where: short stacking energy: -100.768
Base-Backbone interact. energy: -0.246
local terms energy: -117.357688
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -30.619
Dist. restrs. and SS energy: 0.048 (S_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: -327.386014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.386014 (E_RNA)
where:
Base-Base interactions energy: -228.888
where: short stacking energy: -98.495
Base-Backbone interact. energy: -0.334
local terms energy: -98.163921
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -27.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -332.693014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.693014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.708344 (E_RNA)
where:
Base-Base interactions energy: -220.054
where: short stacking energy: -105.879
Base-Backbone interact. energy: -1.031
local terms energy: -111.622822
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -29.551
Dist. restrs. and SS energy: 0.015 (S_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: 159
Temperature: 1.050000
Total energy: -291.155516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.155516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.155516 (E_RNA)
where:
Base-Base interactions energy: -192.909
where: short stacking energy: -93.437
Base-Backbone interact. energy: -0.023
local terms energy: -98.223955
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -24.503
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: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -287.555731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.555731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.649221 (E_RNA)
where:
Base-Base interactions energy: -192.051
where: short stacking energy: -84.200
Base-Backbone interact. energy: 0.588
local terms energy: -96.185939
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.093 (S_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: 159
Temperature: 1.150000
Total energy: -253.195505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.195505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.414964 (E_RNA)
where:
Base-Base interactions energy: -177.589
where: short stacking energy: -72.431
Base-Backbone interact. energy: -0.800
local terms energy: -75.025374
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.219 (S_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: 159
Temperature: 1.200000
Total energy: -258.720659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.720659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.753377 (E_RNA)
where:
Base-Base interactions energy: -166.088
where: short stacking energy: -82.144
Base-Backbone interact. energy: 1.245
local terms energy: -93.909968
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -249.909181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.909181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.956305 (E_RNA)
where:
Base-Base interactions energy: -163.892
where: short stacking energy: -82.645
Base-Backbone interact. energy: -0.688
local terms energy: -85.376568
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -231.756967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.756967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.785252 (E_RNA)
where:
Base-Base interactions energy: -148.991
where: short stacking energy: -76.707
Base-Backbone interact. energy: -0.244
local terms energy: -82.550307
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -197.558868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.558868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.633625 (E_RNA)
where:
Base-Base interactions energy: -131.877
where: short stacking energy: -51.071
Base-Backbone interact. energy: 0.510
local terms energy: -66.266203
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -324.453445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.453445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.498389 (E_RNA)
where:
Base-Base interactions energy: -215.458
where: short stacking energy: -98.331
Base-Backbone interact. energy: -0.197
local terms energy: -108.843235
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 0.045 (S_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: -330.390388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.390388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.390388 (E_RNA)
where:
Base-Base interactions energy: -221.193
where: short stacking energy: -96.009
Base-Backbone interact. energy: -0.045
local terms energy: -109.152981
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -28.302
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: 160
Temperature: 1.000000
Total energy: -323.636423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.636423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.636423 (E_RNA)
where:
Base-Base interactions energy: -210.564
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.040
local terms energy: -113.032481
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -27.814
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: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -267.177206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.177206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.300682 (E_RNA)
where:
Base-Base interactions energy: -176.782
where: short stacking energy: -86.571
Base-Backbone interact. energy: -0.152
local terms energy: -90.366697
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.123 (S_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: 160
Temperature: 1.100000
Total energy: -277.161499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.161499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.172052 (E_RNA)
where:
Base-Base interactions energy: -176.989
where: short stacking energy: -86.359
Base-Backbone interact. energy: 0.048
local terms energy: -100.231546
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.011 (S_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: 160
Temperature: 1.150000
Total energy: -280.925340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.925340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.044784 (E_RNA)
where:
Base-Base interactions energy: -178.626
where: short stacking energy: -81.995
Base-Backbone interact. energy: -0.198
local terms energy: -102.220729
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -24.129
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -259.919086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.919086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.300146 (E_RNA)
where:
Base-Base interactions energy: -162.590
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.168
local terms energy: -97.541990
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.381 (S_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: 160
Temperature: 1.250000
Total energy: -246.061415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.061415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.073231 (E_RNA)
where:
Base-Base interactions energy: -153.185
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.841
local terms energy: -92.046714
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -232.970045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.976995 (E_RNA)
where:
Base-Base interactions energy: -142.504
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.046
local terms energy: -90.427043
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.007 (S_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: 160
Temperature: 1.350000
Total energy: -244.621423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.621423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.658443 (E_RNA)
where:
Base-Base interactions energy: -157.135
where: short stacking energy: -70.294
Base-Backbone interact. energy: 0.049
local terms energy: -87.572786
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -330.442575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.442575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.416821 (E_RNA)
where:
Base-Base interactions energy: -217.067
where: short stacking energy: -101.066
Base-Backbone interact. energy: -0.090
local terms energy: -114.259685
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -31.959
Dist. restrs. and SS energy: 0.974 (S_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: -336.288689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.288689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.607683 (E_RNA)
where:
Base-Base interactions energy: -226.522
where: short stacking energy: -106.095
Base-Backbone interact. energy: -0.179
local terms energy: -109.906389
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 0.319 (S_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: 161
Temperature: 1.000000
Total energy: -312.849821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.849821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.849821 (E_RNA)
where:
Base-Base interactions energy: -203.357
where: short stacking energy: -92.074
Base-Backbone interact. energy: -0.046
local terms energy: -109.447190
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -30.541
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: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -277.126188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.126188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.244301 (E_RNA)
where:
Base-Base interactions energy: -182.673
where: short stacking energy: -84.289
Base-Backbone interact. energy: -1.357
local terms energy: -93.214274
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -285.722552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.722552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.494527 (E_RNA)
where:
Base-Base interactions energy: -189.834
where: short stacking energy: -81.882
Base-Backbone interact. energy: -0.556
local terms energy: -96.105445
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: 0.772 (S_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: 161
Temperature: 1.150000
Total energy: -256.456726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.456726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.558883 (E_RNA)
where:
Base-Base interactions energy: -175.957
where: short stacking energy: -93.255
Base-Backbone interact. energy: 0.978
local terms energy: -81.579306
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -260.471726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.471726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.585049 (E_RNA)
where:
Base-Base interactions energy: -166.796
where: short stacking energy: -86.652
Base-Backbone interact. energy: -0.059
local terms energy: -93.729225
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.113 (S_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: 161
Temperature: 1.250000
Total energy: -244.213204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.213204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.437529 (E_RNA)
where:
Base-Base interactions energy: -159.607
where: short stacking energy: -71.904
Base-Backbone interact. energy: -0.379
local terms energy: -84.452365
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -233.353122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.353122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.500480 (E_RNA)
where:
Base-Base interactions energy: -150.916
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.059
local terms energy: -82.525868
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.147 (S_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: 161
Temperature: 1.350000
Total energy: -214.908100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.141322 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.272
local terms energy: -79.293501
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. 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: -340.972904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.972904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.018605 (E_RNA)
where:
Base-Base interactions energy: -230.587
where: short stacking energy: -102.785
Base-Backbone interact. energy: -0.094
local terms energy: -110.337598
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -317.627998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.627998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.402486 (E_RNA)
where:
Base-Base interactions energy: -205.289
where: short stacking energy: -103.357
Base-Backbone interact. energy: -0.027
local terms energy: -114.086298
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -32.230
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -300.015803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.015803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.051002 (E_RNA)
where:
Base-Base interactions energy: -197.082
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.088
local terms energy: -102.881382
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.035 (S_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: 162
Temperature: 1.050000
Total energy: -322.693242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.693242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.718547 (E_RNA)
where:
Base-Base interactions energy: -215.104
where: short stacking energy: -93.509
Base-Backbone interact. energy: -0.029
local terms energy: -107.585581
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -269.142920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.142920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.213951 (E_RNA)
where:
Base-Base interactions energy: -170.309
where: short stacking energy: -85.245
Base-Backbone interact. energy: 0.263
local terms energy: -99.167689
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.071 (S_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: 162
Temperature: 1.150000
Total energy: -277.677445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.677445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.443799 (E_RNA)
where:
Base-Base interactions energy: -188.302
where: short stacking energy: -79.454
Base-Backbone interact. energy: -0.197
local terms energy: -89.944969
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -233.265113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.265113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.339048 (E_RNA)
where:
Base-Base interactions energy: -149.223
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.327
local terms energy: -83.789436
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.074 (S_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: 162
Temperature: 1.250000
Total energy: -268.952899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.952899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.996155 (E_RNA)
where:
Base-Base interactions energy: -198.952
where: short stacking energy: -81.227
Base-Backbone interact. energy: 2.026
local terms energy: -72.069419
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -263.659782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.659782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.677657 (E_RNA)
where:
Base-Base interactions energy: -170.417
where: short stacking energy: -78.897
Base-Backbone interact. energy: -0.597
local terms energy: -92.663568
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.018 (S_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: 162
Temperature: 1.350000
Total energy: -220.809768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.825556 (E_RNA)
where:
Base-Base interactions energy: -133.690
where: short stacking energy: -65.056
Base-Backbone interact. energy: -0.192
local terms energy: -86.943713
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. 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: -341.460248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.460248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.483132 (E_RNA)
where:
Base-Base interactions energy: -225.829
where: short stacking energy: -105.959
Base-Backbone interact. energy: -0.125
local terms energy: -115.529227
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -29.980
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -301.825884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.825884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.828664 (E_RNA)
where:
Base-Base interactions energy: -199.588
where: short stacking energy: -96.852
Base-Backbone interact. energy: -0.069
local terms energy: -102.171132
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -24.974
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -318.565833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.565833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.565833 (E_RNA)
where:
Base-Base interactions energy: -210.650
where: short stacking energy: -97.379
Base-Backbone interact. energy: -0.744
local terms energy: -107.171446
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -314.850021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.850021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.857801 (E_RNA)
where:
Base-Base interactions energy: -223.876
where: short stacking energy: -107.293
Base-Backbone interact. energy: -0.183
local terms energy: -90.798965
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -274.579112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.579112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.636051 (E_RNA)
where:
Base-Base interactions energy: -182.346
where: short stacking energy: -85.748
Base-Backbone interact. energy: -0.128
local terms energy: -92.161983
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.057 (S_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: 163
Temperature: 1.150000
Total energy: -260.731827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.731827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.989094 (E_RNA)
where:
Base-Base interactions energy: -168.904
where: short stacking energy: -80.402
Base-Backbone interact. energy: 0.589
local terms energy: -92.673720
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -269.872916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.872916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.880753 (E_RNA)
where:
Base-Base interactions energy: -184.209
where: short stacking energy: -83.088
Base-Backbone interact. energy: -0.576
local terms energy: -85.095979
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.008 (S_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: 163
Temperature: 1.250000
Total energy: -265.875759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.875759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.159915 (E_RNA)
where:
Base-Base interactions energy: -179.415
where: short stacking energy: -79.229
Base-Backbone interact. energy: -0.072
local terms energy: -86.673182
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -241.886714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.886714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.000634 (E_RNA)
where:
Base-Base interactions energy: -157.694
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.221
local terms energy: -84.085064
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.114 (S_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: 163
Temperature: 1.350000
Total energy: -218.173774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.173774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.311342 (E_RNA)
where:
Base-Base interactions energy: -132.489
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.318
local terms energy: -85.504684
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -336.355422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.355422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.383667 (E_RNA)
where:
Base-Base interactions energy: -222.593
where: short stacking energy: -109.648
Base-Backbone interact. energy: 0.698
local terms energy: -114.487926
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -33.398
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -299.954905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.954905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.112407 (E_RNA)
where:
Base-Base interactions energy: -193.094
where: short stacking energy: -81.983
Base-Backbone interact. energy: -0.597
local terms energy: -106.420648
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -326.120071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.120071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.125879 (E_RNA)
where:
Base-Base interactions energy: -215.826
where: short stacking energy: -102.208
Base-Backbone interact. energy: -0.082
local terms energy: -110.218369
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -29.771
Dist. restrs. and SS energy: 0.006 (S_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: 164
Temperature: 1.050000
Total energy: -314.200113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.200113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.250355 (E_RNA)
where:
Base-Base interactions energy: -214.010
where: short stacking energy: -103.991
Base-Backbone interact. energy: -0.033
local terms energy: -100.207590
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -287.953822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.953822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.969837 (E_RNA)
where:
Base-Base interactions energy: -180.573
where: short stacking energy: -85.877
Base-Backbone interact. energy: -1.866
local terms energy: -105.530869
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 0.016 (S_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: 164
Temperature: 1.150000
Total energy: -271.729096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.729096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.792121 (E_RNA)
where:
Base-Base interactions energy: -183.112
where: short stacking energy: -78.982
Base-Backbone interact. energy: -0.037
local terms energy: -88.642990
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.063 (S_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: 164
Temperature: 1.200000
Total energy: -292.738050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.738050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.858917 (E_RNA)
where:
Base-Base interactions energy: -196.174
where: short stacking energy: -94.984
Base-Backbone interact. energy: -0.111
local terms energy: -96.574065
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -27.830
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -235.310707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.310707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.310707 (E_RNA)
where:
Base-Base interactions energy: -154.350
where: short stacking energy: -81.840
Base-Backbone interact. energy: -0.172
local terms energy: -80.788754
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -19.651
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: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -227.094183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.094183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.374832 (E_RNA)
where:
Base-Base interactions energy: -140.737
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.519
local terms energy: -86.119734
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -244.006034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.006034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.006034 (E_RNA)
where:
Base-Base interactions energy: -168.553
where: short stacking energy: -81.712
Base-Backbone interact. energy: -0.291
local terms energy: -75.162548
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -21.495
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: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -339.776996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.776996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.818792 (E_RNA)
where:
Base-Base interactions energy: -226.525
where: short stacking energy: -102.748
Base-Backbone interact. energy: -0.194
local terms energy: -113.099710
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -33.528
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -341.953387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.953387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.188659 (E_RNA)
where:
Base-Base interactions energy: -229.458
where: short stacking energy: -100.331
Base-Backbone interact. energy: -0.162
local terms energy: -112.568212
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.235 (S_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: 165
Temperature: 1.000000
Total energy: -305.607686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.607686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.814965 (E_RNA)
where:
Base-Base interactions energy: -201.150
where: short stacking energy: -88.419
Base-Backbone interact. energy: -0.409
local terms energy: -104.256387
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.207 (S_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: 165
Temperature: 1.050000
Total energy: -320.024789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.024789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.024789 (E_RNA)
where:
Base-Base interactions energy: -214.492
where: short stacking energy: -99.977
Base-Backbone interact. energy: -0.070
local terms energy: -105.462333
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -304.130108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.130108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.198869 (E_RNA)
where:
Base-Base interactions energy: -203.962
where: short stacking energy: -94.803
Base-Backbone interact. energy: -0.155
local terms energy: -100.082101
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.069 (S_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: 165
Temperature: 1.150000
Total energy: -282.480923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.480923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.559710 (E_RNA)
where:
Base-Base interactions energy: -183.792
where: short stacking energy: -84.784
Base-Backbone interact. energy: -0.077
local terms energy: -98.690904
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -24.807
Dist. restrs. and SS energy: 0.079 (S_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: 165
Temperature: 1.200000
Total energy: -265.316614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.316614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.358260 (E_RNA)
where:
Base-Base interactions energy: -170.341
where: short stacking energy: -77.030
Base-Backbone interact. energy: -0.419
local terms energy: -94.597987
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -24.726
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -246.512420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.512420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.910699 (E_RNA)
where:
Base-Base interactions energy: -156.218
where: short stacking energy: -79.091
Base-Backbone interact. energy: 0.601
local terms energy: -91.292916
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -244.364777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.364777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.565159 (E_RNA)
where:
Base-Base interactions energy: -161.254
where: short stacking energy: -79.244
Base-Backbone interact. energy: -0.643
local terms energy: -82.668037
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -232.824083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.824083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.999953 (E_RNA)
where:
Base-Base interactions energy: -150.894
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.330
local terms energy: -81.775829
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -336.564973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.564973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.786034 (E_RNA)
where:
Base-Base interactions energy: -225.568
where: short stacking energy: -105.549
Base-Backbone interact. energy: -0.076
local terms energy: -111.142149
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -30.014
Dist. restrs. and SS energy: 0.221 (S_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: 166
Temperature: 0.950000
Total energy: -319.666154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.666154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.198864 (E_RNA)
where:
Base-Base interactions energy: -217.972
where: short stacking energy: -106.282
Base-Backbone interact. energy: -0.090
local terms energy: -102.136476
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -27.192
Dist. restrs. and SS energy: 0.533 (S_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: 166
Temperature: 1.000000
Total energy: -301.592959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.592959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.601516 (E_RNA)
where:
Base-Base interactions energy: -205.538
where: short stacking energy: -87.175
Base-Backbone interact. energy: -0.553
local terms energy: -95.510324
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.009 (S_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: 166
Temperature: 1.050000
Total energy: -310.329851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.329851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.369381 (E_RNA)
where:
Base-Base interactions energy: -208.131
where: short stacking energy: -89.496
Base-Backbone interact. energy: -0.060
local terms energy: -102.178034
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -269.907071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.907071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.910493 (E_RNA)
where:
Base-Base interactions energy: -167.829
where: short stacking energy: -81.009
Base-Backbone interact. energy: -0.436
local terms energy: -101.645166
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.003 (S_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: 166
Temperature: 1.150000
Total energy: -285.398278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.398278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.428419 (E_RNA)
where:
Base-Base interactions energy: -192.232
where: short stacking energy: -90.947
Base-Backbone interact. energy: -0.125
local terms energy: -93.071914
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -254.895740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.895740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.932342 (E_RNA)
where:
Base-Base interactions energy: -152.536
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.265
local terms energy: -102.131259
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -264.779937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.779937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.040620 (E_RNA)
where:
Base-Base interactions energy: -169.938
where: short stacking energy: -81.145
Base-Backbone interact. energy: -0.080
local terms energy: -95.022683
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -22.237
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. 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: -221.365126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.365126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.535784 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.136
local terms energy: -79.699126
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -216.452442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.452442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.535119 (E_RNA)
where:
Base-Base interactions energy: -144.028
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.330
local terms energy: -72.176638
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -341.070126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.070126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.213296 (E_RNA)
where:
Base-Base interactions energy: -219.594
where: short stacking energy: -104.343
Base-Backbone interact. energy: -0.079
local terms energy: -121.539750
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -32.075
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -301.698958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.698958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.701968 (E_RNA)
where:
Base-Base interactions energy: -196.522
where: short stacking energy: -85.348
Base-Backbone interact. energy: -0.253
local terms energy: -104.927511
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.003 (S_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: -315.946412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.946412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.979934 (E_RNA)
where:
Base-Base interactions energy: -205.916
where: short stacking energy: -101.081
Base-Backbone interact. energy: -0.418
local terms energy: -109.645858
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -29.807
Dist. restrs. and SS energy: 0.034 (S_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: 167
Temperature: 1.050000
Total energy: -317.846583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.846583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.514185 (E_RNA)
where:
Base-Base interactions energy: -214.958
where: short stacking energy: -100.957
Base-Backbone interact. energy: -0.106
local terms energy: -103.450051
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -28.668
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -271.204334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.204334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.374413 (E_RNA)
where:
Base-Base interactions energy: -179.147
where: short stacking energy: -87.186
Base-Backbone interact. energy: -0.011
local terms energy: -92.216036
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. 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: -261.450282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.450282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.546100 (E_RNA)
where:
Base-Base interactions energy: -160.040
where: short stacking energy: -73.026
Base-Backbone interact. energy: -0.121
local terms energy: -101.385835
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.096 (S_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: 167
Temperature: 1.200000
Total energy: -270.919608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.919608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.105226 (E_RNA)
where:
Base-Base interactions energy: -175.748
where: short stacking energy: -81.538
Base-Backbone interact. energy: 0.892
local terms energy: -96.248721
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -223.162518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.162518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.426999 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -71.225
Base-Backbone interact. energy: 0.063
local terms energy: -80.612861
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. 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: -227.770316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.770316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.862818 (E_RNA)
where:
Base-Base interactions energy: -134.835
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.089
local terms energy: -92.938227
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -229.267411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.267411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.376194 (E_RNA)
where:
Base-Base interactions energy: -144.711
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.126
local terms energy: -84.538280
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -340.105276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.105276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.105276 (E_RNA)
where:
Base-Base interactions energy: -227.596
where: short stacking energy: -112.340
Base-Backbone interact. energy: -0.336
local terms energy: -112.173248
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -32.380
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: 168
Temperature: 0.950000
Total energy: -309.589494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.589494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.619562 (E_RNA)
where:
Base-Base interactions energy: -203.544
where: short stacking energy: -104.478
Base-Backbone interact. energy: -0.059
local terms energy: -106.016153
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.030 (S_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: 168
Temperature: 1.000000
Total energy: -325.640416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.640416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.703447 (E_RNA)
where:
Base-Base interactions energy: -216.469
where: short stacking energy: -103.552
Base-Backbone interact. energy: -0.058
local terms energy: -109.176598
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.063 (S_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: 168
Temperature: 1.050000
Total energy: -323.109179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.109179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.143209 (E_RNA)
where:
Base-Base interactions energy: -208.868
where: short stacking energy: -101.929
Base-Backbone interact. energy: -0.078
local terms energy: -114.197431
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. 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: -266.334751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.334751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.411465 (E_RNA)
where:
Base-Base interactions energy: -160.629
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.163
local terms energy: -105.618991
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -26.749
Dist. restrs. and SS energy: 0.077 (S_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: 168
Temperature: 1.150000
Total energy: -243.034389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.034389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.034389 (E_RNA)
where:
Base-Base interactions energy: -151.632
where: short stacking energy: -75.898
Base-Backbone interact. energy: 0.161
local terms energy: -91.563079
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -263.630283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.727646 (E_RNA)
where:
Base-Base interactions energy: -169.820
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.184
local terms energy: -93.723070
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.097 (S_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: 168
Temperature: 1.250000
Total energy: -236.036154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.036154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.056241 (E_RNA)
where:
Base-Base interactions energy: -141.004
where: short stacking energy: -68.255
Base-Backbone interact. energy: 0.829
local terms energy: -95.881414
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -229.255237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.255237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.365418 (E_RNA)
where:
Base-Base interactions energy: -154.279
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.136
local terms energy: -74.950273
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. 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: -216.695208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.695208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.695208 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -61.150
Base-Backbone interact. energy: 3.265
local terms energy: -79.716164
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -331.387345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.387345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.387345 (E_RNA)
where:
Base-Base interactions energy: -217.765
where: short stacking energy: -107.401
Base-Backbone interact. energy: -0.004
local terms energy: -113.618837
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -28.295
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: 169
Temperature: 0.950000
Total energy: -329.601196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.601196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.808580 (E_RNA)
where:
Base-Base interactions energy: -211.710
where: short stacking energy: -99.020
Base-Backbone interact. energy: -0.346
local terms energy: -117.753233
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.207 (S_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: 169
Temperature: 1.000000
Total energy: -298.550711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.550711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.070260 (E_RNA)
where:
Base-Base interactions energy: -202.769
where: short stacking energy: -88.792
Base-Backbone interact. energy: 0.101
local terms energy: -96.402407
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.520 (S_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: 169
Temperature: 1.050000
Total energy: -306.976722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.976722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.076085 (E_RNA)
where:
Base-Base interactions energy: -207.387
where: short stacking energy: -102.367
Base-Backbone interact. energy: -0.036
local terms energy: -99.653015
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -28.226
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. 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: -282.503083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.503083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.524316 (E_RNA)
where:
Base-Base interactions energy: -179.891
where: short stacking energy: -76.181
Base-Backbone interact. energy: -0.451
local terms energy: -102.182285
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.021 (S_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: 169
Temperature: 1.150000
Total energy: -251.495840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.495840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.707870 (E_RNA)
where:
Base-Base interactions energy: -167.417
where: short stacking energy: -66.169
Base-Backbone interact. energy: -0.746
local terms energy: -83.544359
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.212 (S_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: 169
Temperature: 1.200000
Total energy: -274.952125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.952125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.072398 (E_RNA)
where:
Base-Base interactions energy: -172.113
where: short stacking energy: -92.505
Base-Backbone interact. energy: -0.023
local terms energy: -102.936452
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -199.431180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.431180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.728871 (E_RNA)
where:
Base-Base interactions energy: -122.597
where: short stacking energy: -47.499
Base-Backbone interact. energy: -0.324
local terms energy: -76.807493
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. 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: -230.613846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.613846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.653630 (E_RNA)
where:
Base-Base interactions energy: -148.151
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.609
local terms energy: -81.893482
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -218.219707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.338882 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -56.335
Base-Backbone interact. energy: -0.261
local terms energy: -87.748229
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -344.783060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.783060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.868350 (E_RNA)
where:
Base-Base interactions energy: -229.339
where: short stacking energy: -99.878
Base-Backbone interact. energy: -0.095
local terms energy: -115.433584
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -327.623821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.623821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.678273 (E_RNA)
where:
Base-Base interactions energy: -218.323
where: short stacking energy: -91.391
Base-Backbone interact. energy: -0.454
local terms energy: -108.901173
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -28.069
Dist. restrs. and SS energy: 0.054 (S_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: 170
Temperature: 1.000000
Total energy: -289.739061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.739061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.739061 (E_RNA)
where:
Base-Base interactions energy: -189.570
where: short stacking energy: -94.248
Base-Backbone interact. energy: 0.215
local terms energy: -100.383723
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -292.435102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.435102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.599405 (E_RNA)
where:
Base-Base interactions energy: -193.332
where: short stacking energy: -87.264
Base-Backbone interact. energy: -0.389
local terms energy: -98.878894
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -276.322936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.322936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.651774 (E_RNA)
where:
Base-Base interactions energy: -183.791
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.345
local terms energy: -92.516043
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. 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: -280.205464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.205464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.205464 (E_RNA)
where:
Base-Base interactions energy: -180.068
where: short stacking energy: -96.521
Base-Backbone interact. energy: 0.064
local terms energy: -100.201330
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -237.300404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.300404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.302439 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -78.328
Base-Backbone interact. energy: -0.259
local terms energy: -86.662815
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -212.012412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.237323 (E_RNA)
where:
Base-Base interactions energy: -135.610
where: short stacking energy: -66.196
Base-Backbone interact. energy: 0.514
local terms energy: -77.141047
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -231.003907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.003907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.052272 (E_RNA)
where:
Base-Base interactions energy: -148.020
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.206
local terms energy: -82.825971
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -208.642781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.642781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.664752 (E_RNA)
where:
Base-Base interactions energy: -132.082
where: short stacking energy: -61.417
Base-Backbone interact. energy: 0.099
local terms energy: -76.681899
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -338.516378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.516378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.527479 (E_RNA)
where:
Base-Base interactions energy: -222.274
where: short stacking energy: -110.168
Base-Backbone interact. energy: -0.076
local terms energy: -116.176823
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.011 (S_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: -317.133864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.133864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.143076 (E_RNA)
where:
Base-Base interactions energy: -214.811
where: short stacking energy: -97.624
Base-Backbone interact. energy: -0.503
local terms energy: -101.829474
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -318.476691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.476691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.513362 (E_RNA)
where:
Base-Base interactions energy: -210.415
where: short stacking energy: -97.302
Base-Backbone interact. energy: -0.060
local terms energy: -108.038639
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 0.037 (S_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: 171
Temperature: 1.050000
Total energy: -297.361155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.361155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.384414 (E_RNA)
where:
Base-Base interactions energy: -196.836
where: short stacking energy: -95.998
Base-Backbone interact. energy: -0.679
local terms energy: -99.869346
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -256.234083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.234083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.595556 (E_RNA)
where:
Base-Base interactions energy: -164.210
where: short stacking energy: -83.814
Base-Backbone interact. energy: -0.139
local terms energy: -92.246547
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -266.716602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.716602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.769298 (E_RNA)
where:
Base-Base interactions energy: -172.355
where: short stacking energy: -73.964
Base-Backbone interact. energy: -1.215
local terms energy: -93.198974
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -254.260943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.260943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.377433 (E_RNA)
where:
Base-Base interactions energy: -166.471
where: short stacking energy: -84.050
Base-Backbone interact. energy: -0.274
local terms energy: -87.632986
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -226.442743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.442743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.544074 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.288
local terms energy: -86.949877
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -233.533658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.533658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.584526 (E_RNA)
where:
Base-Base interactions energy: -157.446
where: short stacking energy: -61.814
Base-Backbone interact. energy: 2.340
local terms energy: -78.477810
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -207.787428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.787428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795439 (E_RNA)
where:
Base-Base interactions energy: -139.758
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.181
local terms energy: -67.856458
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -343.410843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.410843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.438101 (E_RNA)
where:
Base-Base interactions energy: -228.493
where: short stacking energy: -110.942
Base-Backbone interact. energy: 0.607
local terms energy: -115.551934
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.027 (S_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: -326.370867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.370867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.448597 (E_RNA)
where:
Base-Base interactions energy: -216.253
where: short stacking energy: -102.332
Base-Backbone interact. energy: -0.073
local terms energy: -110.122311
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -311.846240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.846240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.900108 (E_RNA)
where:
Base-Base interactions energy: -209.376
where: short stacking energy: -98.306
Base-Backbone interact. energy: -0.508
local terms energy: -102.016377
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -303.874329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.874329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.878925 (E_RNA)
where:
Base-Base interactions energy: -211.832
where: short stacking energy: -85.883
Base-Backbone interact. energy: 1.385
local terms energy: -93.431467
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -272.404028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.404028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.422648 (E_RNA)
where:
Base-Base interactions energy: -172.721
where: short stacking energy: -90.074
Base-Backbone interact. energy: -0.325
local terms energy: -99.377174
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -256.525321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.525321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.275494 (E_RNA)
where:
Base-Base interactions energy: -162.332
where: short stacking energy: -81.225
Base-Backbone interact. energy: -0.133
local terms energy: -94.811306
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -249.115893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.115893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.178734 (E_RNA)
where:
Base-Base interactions energy: -153.757
where: short stacking energy: -76.611
Base-Backbone interact. energy: -0.309
local terms energy: -95.113462
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -236.783295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.783295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.960091 (E_RNA)
where:
Base-Base interactions energy: -142.525
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.182
local terms energy: -94.253449
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. 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: -223.488616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.488616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.503160 (E_RNA)
where:
Base-Base interactions energy: -144.646
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.330
local terms energy: -78.527776
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -207.916559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.916559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045415 (E_RNA)
where:
Base-Base interactions energy: -130.074
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.386
local terms energy: -77.585269
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -339.814626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.814626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.824721 (E_RNA)
where:
Base-Base interactions energy: -232.484
where: short stacking energy: -115.976
Base-Backbone interact. energy: -0.048
local terms energy: -107.292187
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.010 (S_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: -324.174302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.174302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.230936 (E_RNA)
where:
Base-Base interactions energy: -215.120
where: short stacking energy: -93.945
Base-Backbone interact. energy: 0.351
local terms energy: -109.462328
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -316.209089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.209089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.390408 (E_RNA)
where:
Base-Base interactions energy: -215.541
where: short stacking energy: -103.847
Base-Backbone interact. energy: -0.209
local terms energy: -100.640444
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -308.623388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.623388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.689703 (E_RNA)
where:
Base-Base interactions energy: -222.523
where: short stacking energy: -102.655
Base-Backbone interact. energy: -0.493
local terms energy: -85.673575
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -255.784306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.784306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.784306 (E_RNA)
where:
Base-Base interactions energy: -160.088
where: short stacking energy: -84.199
Base-Backbone interact. energy: -0.062
local terms energy: -95.634838
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -251.598413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.598413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.787351 (E_RNA)
where:
Base-Base interactions energy: -161.929
where: short stacking energy: -76.593
Base-Backbone interact. energy: -0.202
local terms energy: -89.655964
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.189 (S_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: -248.485567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.485567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.532694 (E_RNA)
where:
Base-Base interactions energy: -159.819
where: short stacking energy: -77.693
Base-Backbone interact. energy: -0.018
local terms energy: -88.695441
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -235.366108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.366108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.598148 (E_RNA)
where:
Base-Base interactions energy: -145.003
where: short stacking energy: -79.009
Base-Backbone interact. energy: 0.328
local terms energy: -90.923445
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. 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: -222.440377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.442876 (E_RNA)
where:
Base-Base interactions energy: -142.329
where: short stacking energy: -68.221
Base-Backbone interact. energy: -0.656
local terms energy: -79.457968
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -199.445888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445888 (E_RNA)
where:
Base-Base interactions energy: -115.489
where: short stacking energy: -43.646
Base-Backbone interact. energy: 2.176
local terms energy: -86.132440
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -338.654690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.654690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.654690 (E_RNA)
where:
Base-Base interactions energy: -225.261
where: short stacking energy: -101.805
Base-Backbone interact. energy: -0.028
local terms energy: -113.365493
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -28.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -323.631115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.631115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.708414 (E_RNA)
where:
Base-Base interactions energy: -213.714
where: short stacking energy: -101.728
Base-Backbone interact. energy: -0.095
local terms energy: -109.898841
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -30.479
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -318.395262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.395262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.395262 (E_RNA)
where:
Base-Base interactions energy: -213.594
where: short stacking energy: -92.110
Base-Backbone interact. energy: -0.343
local terms energy: -104.458361
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -20.626
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -314.268143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.268143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.344679 (E_RNA)
where:
Base-Base interactions energy: -214.578
where: short stacking energy: -99.231
Base-Backbone interact. energy: -0.148
local terms energy: -99.619354
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -257.422967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.422967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.698299 (E_RNA)
where:
Base-Base interactions energy: -156.165
where: short stacking energy: -84.861
Base-Backbone interact. energy: -0.075
local terms energy: -101.457968
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.275 (S_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: 174
Temperature: 1.150000
Total energy: -264.245473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.245473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.408771 (E_RNA)
where:
Base-Base interactions energy: -161.818
where: short stacking energy: -89.545
Base-Backbone interact. energy: -0.058
local terms energy: -102.532841
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.163 (S_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: -247.292818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.292818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.573373 (E_RNA)
where:
Base-Base interactions energy: -152.393
where: short stacking energy: -79.327
Base-Backbone interact. energy: -0.005
local terms energy: -95.174958
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -224.060407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.060407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.282425 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.573
local terms energy: -76.309482
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. 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: -240.149894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.149894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.285297 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -78.786
Base-Backbone interact. energy: -0.091
local terms energy: -85.738417
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -206.813494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.813494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.813494 (E_RNA)
where:
Base-Base interactions energy: -132.059
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.607
local terms energy: -74.147041
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -334.844073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.844073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.844073 (E_RNA)
where:
Base-Base interactions energy: -229.152
where: short stacking energy: -96.018
Base-Backbone interact. energy: -0.263
local terms energy: -105.428457
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -335.785148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.785148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.817193 (E_RNA)
where:
Base-Base interactions energy: -228.885
where: short stacking energy: -101.766
Base-Backbone interact. energy: -0.850
local terms energy: -106.082917
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.032 (S_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: 175
Temperature: 1.000000
Total energy: -316.271599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.271599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.280190 (E_RNA)
where:
Base-Base interactions energy: -203.902
where: short stacking energy: -100.289
Base-Backbone interact. energy: -0.667
local terms energy: -111.710841
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -32.518
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -269.664018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.664018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.747301 (E_RNA)
where:
Base-Base interactions energy: -172.494
where: short stacking energy: -93.902
Base-Backbone interact. energy: -0.161
local terms energy: -97.092653
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -315.498670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.498670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.611717 (E_RNA)
where:
Base-Base interactions energy: -214.846
where: short stacking energy: -105.196
Base-Backbone interact. energy: 3.808
local terms energy: -104.573214
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -28.167
Dist. restrs. and SS energy: 0.113 (S_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: 175
Temperature: 1.150000
Total energy: -265.894483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.894483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.894483 (E_RNA)
where:
Base-Base interactions energy: -179.780
where: short stacking energy: -79.716
Base-Backbone interact. energy: -0.292
local terms energy: -85.822882
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -264.874944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.874944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.950999 (E_RNA)
where:
Base-Base interactions energy: -165.057
where: short stacking energy: -80.653
Base-Backbone interact. energy: -0.108
local terms energy: -99.785904
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -237.909076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.909076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.145187 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -79.377
Base-Backbone interact. energy: 0.126
local terms energy: -90.252030
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. 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: -215.051299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.051299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.073827 (E_RNA)
where:
Base-Base interactions energy: -131.543
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.122
local terms energy: -83.409345
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -210.441801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.441801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.492886 (E_RNA)
where:
Base-Base interactions energy: -131.117
where: short stacking energy: -58.887
Base-Backbone interact. energy: -0.423
local terms energy: -78.952632
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.051 (S_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: 176
Temperature: 0.900000
Total energy: -323.880428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.880428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.922488 (E_RNA)
where:
Base-Base interactions energy: -222.465
where: short stacking energy: -101.812
Base-Backbone interact. energy: -1.089
local terms energy: -100.367656
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -320.059859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.059859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.037321 (E_RNA)
where:
Base-Base interactions energy: -213.390
where: short stacking energy: -87.360
Base-Backbone interact. energy: -0.353
local terms energy: -107.294797
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -24.383
Dist. restrs. and SS energy: 0.977 (S_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: 176
Temperature: 1.000000
Total energy: -282.525605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.525605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.617373 (E_RNA)
where:
Base-Base interactions energy: -172.412
where: short stacking energy: -90.313
Base-Backbone interact. energy: 1.044
local terms energy: -111.248460
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.092 (S_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: 176
Temperature: 1.050000
Total energy: -291.101151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.101151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.134463 (E_RNA)
where:
Base-Base interactions energy: -184.700
where: short stacking energy: -94.337
Base-Backbone interact. energy: -0.173
local terms energy: -106.260919
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -25.162
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -313.512497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.512497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.512497 (E_RNA)
where:
Base-Base interactions energy: -207.133
where: short stacking energy: -98.105
Base-Backbone interact. energy: -0.084
local terms energy: -106.294860
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -27.259
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: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -265.547666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.547666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.594020 (E_RNA)
where:
Base-Base interactions energy: -164.440
where: short stacking energy: -81.450
Base-Backbone interact. energy: -0.528
local terms energy: -100.626361
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -241.077408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.077408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.085379 (E_RNA)
where:
Base-Base interactions energy: -146.989
where: short stacking energy: -82.277
Base-Backbone interact. energy: -0.236
local terms energy: -93.860471
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -21.932
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -246.406383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.406383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.427748 (E_RNA)
where:
Base-Base interactions energy: -165.065
where: short stacking energy: -79.752
Base-Backbone interact. energy: 0.328
local terms energy: -81.690384
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -219.284783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.284783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.498814 (E_RNA)
where:
Base-Base interactions energy: -126.270
where: short stacking energy: -51.121
Base-Backbone interact. energy: -0.478
local terms energy: -92.750315
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -224.121675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.121675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.149506 (E_RNA)
where:
Base-Base interactions energy: -135.335
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.163
local terms energy: -88.651345
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.028 (S_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: 177
Temperature: 0.900000
Total energy: -338.653507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.653507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.737699 (E_RNA)
where:
Base-Base interactions energy: -231.365
where: short stacking energy: -113.549
Base-Backbone interact. energy: -0.207
local terms energy: -107.166150
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.084 (S_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: 177
Temperature: 0.950000
Total energy: -298.152764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.152764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.154539 (E_RNA)
where:
Base-Base interactions energy: -194.922
where: short stacking energy: -85.573
Base-Backbone interact. energy: -0.100
local terms energy: -103.131740
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.002 (S_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: 177
Temperature: 1.000000
Total energy: -316.771610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.771610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.250629 (E_RNA)
where:
Base-Base interactions energy: -206.009
where: short stacking energy: -97.261
Base-Backbone interact. energy: -0.147
local terms energy: -112.095119
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -29.780
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. 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: -320.378735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.378735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.473738 (E_RNA)
where:
Base-Base interactions energy: -206.045
where: short stacking energy: -96.381
Base-Backbone interact. energy: -0.163
local terms energy: -114.266284
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -32.559
Dist. restrs. and SS energy: 0.095 (S_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: 177
Temperature: 1.100000
Total energy: -285.309458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.309458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.512586 (E_RNA)
where:
Base-Base interactions energy: -198.381
where: short stacking energy: -91.190
Base-Backbone interact. energy: -0.565
local terms energy: -86.566827
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.203 (S_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: 177
Temperature: 1.150000
Total energy: -270.517645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.517645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.579085 (E_RNA)
where:
Base-Base interactions energy: -175.826
where: short stacking energy: -78.791
Base-Backbone interact. energy: -0.303
local terms energy: -95.450032
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 1.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -243.084377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.084377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.150092 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -74.537
Base-Backbone interact. energy: -1.329
local terms energy: -95.434709
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. 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: -214.727682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.727682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.731229 (E_RNA)
where:
Base-Base interactions energy: -140.007
where: short stacking energy: -60.780
Base-Backbone interact. energy: -1.315
local terms energy: -73.409285
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -218.949263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.949263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.035740 (E_RNA)
where:
Base-Base interactions energy: -145.587
where: short stacking energy: -73.958
Base-Backbone interact. energy: 0.343
local terms energy: -73.792160
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -214.552142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.552142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.122873 (E_RNA)
where:
Base-Base interactions energy: -128.242
where: short stacking energy: -57.377
Base-Backbone interact. energy: -0.252
local terms energy: -86.629133
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.571 (S_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: 178
Temperature: 0.900000
Total energy: -337.491495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.491495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.510143 (E_RNA)
where:
Base-Base interactions energy: -227.601
where: short stacking energy: -99.215
Base-Backbone interact. energy: -0.488
local terms energy: -109.420725
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.019 (S_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: 178
Temperature: 0.950000
Total energy: -304.858908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.858908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.005776 (E_RNA)
where:
Base-Base interactions energy: -200.953
where: short stacking energy: -88.568
Base-Backbone interact. energy: -0.411
local terms energy: -103.641945
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -24.692
Dist. restrs. and SS energy: 0.147 (S_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: 178
Temperature: 1.000000
Total energy: -320.642849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.642849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.722978 (E_RNA)
where:
Base-Base interactions energy: -209.903
where: short stacking energy: -105.419
Base-Backbone interact. energy: 0.093
local terms energy: -110.912791
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -31.212
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -309.963480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.963480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.078396 (E_RNA)
where:
Base-Base interactions energy: -199.065
where: short stacking energy: -94.892
Base-Backbone interact. energy: -0.007
local terms energy: -111.006032
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.115 (S_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: 178
Temperature: 1.100000
Total energy: -285.489237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.489237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.541593 (E_RNA)
where:
Base-Base interactions energy: -195.582
where: short stacking energy: -82.830
Base-Backbone interact. energy: -0.394
local terms energy: -89.565697
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.052 (S_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: 178
Temperature: 1.150000
Total energy: -288.954487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.954487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.961513 (E_RNA)
where:
Base-Base interactions energy: -184.397
where: short stacking energy: -92.047
Base-Backbone interact. energy: -0.059
local terms energy: -104.506004
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -240.194951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.194951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.304867 (E_RNA)
where:
Base-Base interactions energy: -149.305
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.518
local terms energy: -90.482517
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. 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: -223.929961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.929961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.002147 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -58.913
Base-Backbone interact. energy: -0.807
local terms energy: -87.092442
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. 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: -241.563992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.563992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.859844 (E_RNA)
where:
Base-Base interactions energy: -157.623
where: short stacking energy: -80.475
Base-Backbone interact. energy: -0.045
local terms energy: -84.191923
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -233.113740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.113740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140205 (E_RNA)
where:
Base-Base interactions energy: -146.890
where: short stacking energy: -75.284
Base-Backbone interact. energy: 1.389
local terms energy: -87.639940
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.026 (S_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: 179
Temperature: 0.900000
Total energy: -346.323263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.323263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.323263 (E_RNA)
where:
Base-Base interactions energy: -234.902
where: short stacking energy: -108.810
Base-Backbone interact. energy: -0.507
local terms energy: -110.913750
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -318.956307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.956307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.916022 (E_RNA)
where:
Base-Base interactions energy: -212.216
where: short stacking energy: -104.973
Base-Backbone interact. energy: -0.007
local terms energy: -108.693247
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: 1.960 (S_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: 179
Temperature: 1.000000
Total energy: -319.579006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.579006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.640503 (E_RNA)
where:
Base-Base interactions energy: -213.105
where: short stacking energy: -105.601
Base-Backbone interact. energy: -0.004
local terms energy: -106.531400
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.061 (S_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: -272.725970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.725970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.729426 (E_RNA)
where:
Base-Base interactions energy: -176.182
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.365
local terms energy: -96.183118
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -284.505507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.505507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.794893 (E_RNA)
where:
Base-Base interactions energy: -191.106
where: short stacking energy: -90.634
Base-Backbone interact. energy: -0.154
local terms energy: -93.534108
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -25.943
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -264.502881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.502881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.566478 (E_RNA)
where:
Base-Base interactions energy: -168.538
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.074
local terms energy: -95.953776
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.064 (S_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: -294.390774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.390774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.439956 (E_RNA)
where:
Base-Base interactions energy: -186.694
where: short stacking energy: -90.681
Base-Backbone interact. energy: -0.323
local terms energy: -107.422924
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.049 (S_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: 179
Temperature: 1.250000
Total energy: -255.140722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.140722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.192837 (E_RNA)
where:
Base-Base interactions energy: -149.109
where: short stacking energy: -79.217
Base-Backbone interact. energy: -0.005
local terms energy: -106.078820
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -227.139390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.139390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.161257 (E_RNA)
where:
Base-Base interactions energy: -157.964
where: short stacking energy: -66.304
Base-Backbone interact. energy: -2.121
local terms energy: -67.075924
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -232.315170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.315170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.356754 (E_RNA)
where:
Base-Base interactions energy: -136.638
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.105
local terms energy: -95.613712
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -335.661511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.661511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.705220 (E_RNA)
where:
Base-Base interactions energy: -221.707
where: short stacking energy: -106.960
Base-Backbone interact. energy: -0.782
local terms energy: -113.216007
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -321.673158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.673158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.257908 (E_RNA)
where:
Base-Base interactions energy: -207.829
where: short stacking energy: -103.714
Base-Backbone interact. energy: -0.044
local terms energy: -116.384234
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -30.840
Dist. restrs. and SS energy: 2.585 (S_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: -308.680826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.680826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.712627 (E_RNA)
where:
Base-Base interactions energy: -212.406
where: short stacking energy: -99.780
Base-Backbone interact. energy: 0.236
local terms energy: -96.542866
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -313.605352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.605352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.674381 (E_RNA)
where:
Base-Base interactions energy: -213.972
where: short stacking energy: -99.628
Base-Backbone interact. energy: -0.113
local terms energy: -99.589074
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -29.324
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -265.200902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.200902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.200902 (E_RNA)
where:
Base-Base interactions energy: -162.981
where: short stacking energy: -85.376
Base-Backbone interact. energy: -0.214
local terms energy: -102.006219
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -19.947
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: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -256.625107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.625107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.686460 (E_RNA)
where:
Base-Base interactions energy: -162.989
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.097
local terms energy: -93.601129
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: 0.061 (S_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: -250.684455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.684455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.701817 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.252
local terms energy: -86.534485
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.017 (S_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: 180
Temperature: 1.250000
Total energy: -254.856584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.933464 (E_RNA)
where:
Base-Base interactions energy: -157.602
where: short stacking energy: -83.565
Base-Backbone interact. energy: -0.016
local terms energy: -97.316204
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -29.528
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -229.800296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.800296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.975802 (E_RNA)
where:
Base-Base interactions energy: -142.489
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.054
local terms energy: -87.433432
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -223.538567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.684793 (E_RNA)
where:
Base-Base interactions energy: -138.755
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.704
local terms energy: -84.225253
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -329.411699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.411699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.511608 (E_RNA)
where:
Base-Base interactions energy: -223.712
where: short stacking energy: -111.646
Base-Backbone interact. energy: -0.399
local terms energy: -105.400463
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -28.159
Dist. restrs. and SS energy: 0.100 (S_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: 181
Temperature: 0.950000
Total energy: -323.486190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.486190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.498382 (E_RNA)
where:
Base-Base interactions energy: -215.480
where: short stacking energy: -95.788
Base-Backbone interact. energy: -0.651
local terms energy: -107.368185
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.012 (S_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: 181
Temperature: 1.000000
Total energy: -329.670987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.670987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.560341 (E_RNA)
where:
Base-Base interactions energy: -217.238
where: short stacking energy: -110.222
Base-Backbone interact. energy: -0.037
local terms energy: -114.285440
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -32.573
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -312.154576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.154576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.577187 (E_RNA)
where:
Base-Base interactions energy: -211.018
where: short stacking energy: -102.410
Base-Backbone interact. energy: -0.010
local terms energy: -101.548529
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -256.387256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.387256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.398634 (E_RNA)
where:
Base-Base interactions energy: -171.350
where: short stacking energy: -85.522
Base-Backbone interact. energy: -0.046
local terms energy: -85.003279
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.011 (S_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: -256.228313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.228313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.248220 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -84.992
Base-Backbone interact. energy: -0.380
local terms energy: -96.056244
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.020 (S_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: 181
Temperature: 1.200000
Total energy: -264.075072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.075072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.475540 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -87.675
Base-Backbone interact. energy: -0.015
local terms energy: -92.683735
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -25.978
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -234.030173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.030173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.216537 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.158
local terms energy: -82.050986
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. 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: -230.777300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.777300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.850113 (E_RNA)
where:
Base-Base interactions energy: -140.438
where: short stacking energy: -67.898
Base-Backbone interact. energy: 1.057
local terms energy: -91.468727
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -230.072508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.072508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.084592 (E_RNA)
where:
Base-Base interactions energy: -155.282
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.173
local terms energy: -74.628965
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -334.616945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.616945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.644007 (E_RNA)
where:
Base-Base interactions energy: -225.133
where: short stacking energy: -97.766
Base-Backbone interact. energy: -0.219
local terms energy: -109.292536
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -319.291427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.291427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.324094 (E_RNA)
where:
Base-Base interactions energy: -210.817
where: short stacking energy: -96.583
Base-Backbone interact. energy: 0.243
local terms energy: -108.750791
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -26.108
Dist. restrs. and SS energy: 0.033 (S_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: 182
Temperature: 1.000000
Total energy: -322.201432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.201432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.348728 (E_RNA)
where:
Base-Base interactions energy: -219.810
where: short stacking energy: -100.655
Base-Backbone interact. energy: -0.134
local terms energy: -104.405451
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -27.275
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -315.388568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.388568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.388568 (E_RNA)
where:
Base-Base interactions energy: -218.168
where: short stacking energy: -96.274
Base-Backbone interact. energy: -0.097
local terms energy: -97.123505
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -267.300824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.300824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.383724 (E_RNA)
where:
Base-Base interactions energy: -165.135
where: short stacking energy: -91.393
Base-Backbone interact. energy: 0.188
local terms energy: -102.437486
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -28.211
Dist. restrs. and SS energy: 0.083 (S_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: -253.970634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.970634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.983457 (E_RNA)
where:
Base-Base interactions energy: -155.928
where: short stacking energy: -72.225
Base-Backbone interact. energy: -0.114
local terms energy: -97.941056
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.013 (S_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: 182
Temperature: 1.200000
Total energy: -266.188974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.188974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.206289 (E_RNA)
where:
Base-Base interactions energy: -180.286
where: short stacking energy: -86.357
Base-Backbone interact. energy: -0.240
local terms energy: -85.680254
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.017 (S_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: 182
Temperature: 1.250000
Total energy: -241.421346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.421346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.453211 (E_RNA)
where:
Base-Base interactions energy: -154.748
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.057
local terms energy: -86.647981
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -230.824514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.824514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.939933 (E_RNA)
where:
Base-Base interactions energy: -138.993
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.308
local terms energy: -91.638620
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -233.902086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.902086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.919253 (E_RNA)
where:
Base-Base interactions energy: -159.265
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.205
local terms energy: -74.449057
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -334.729274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.729274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.922884 (E_RNA)
where:
Base-Base interactions energy: -229.047
where: short stacking energy: -94.122
Base-Backbone interact. energy: -0.650
local terms energy: -105.226028
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -340.825391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.825391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.643590 (E_RNA)
where:
Base-Base interactions energy: -234.782
where: short stacking energy: -115.487
Base-Backbone interact. energy: -0.337
local terms energy: -107.524585
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -30.174
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -309.419078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.419078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.665650 (E_RNA)
where:
Base-Base interactions energy: -209.379
where: short stacking energy: -81.982
Base-Backbone interact. energy: -0.462
local terms energy: -99.823868
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -283.478899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.478899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.478899 (E_RNA)
where:
Base-Base interactions energy: -182.786
where: short stacking energy: -99.007
Base-Backbone interact. energy: -0.009
local terms energy: -100.683802
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -28.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -302.364120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.364120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.382094 (E_RNA)
where:
Base-Base interactions energy: -207.877
where: short stacking energy: -92.137
Base-Backbone interact. energy: -0.191
local terms energy: -94.313962
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -255.985875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.226859 (E_RNA)
where:
Base-Base interactions energy: -169.018
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.179
local terms energy: -87.030608
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.241 (S_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: 183
Temperature: 1.200000
Total energy: -255.124507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.124507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.432424 (E_RNA)
where:
Base-Base interactions energy: -174.395
where: short stacking energy: -73.587
Base-Backbone interact. energy: -0.024
local terms energy: -81.014278
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -245.738114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.738114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.738114 (E_RNA)
where:
Base-Base interactions energy: -162.923
where: short stacking energy: -78.725
Base-Backbone interact. energy: -0.123
local terms energy: -82.692373
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -239.790831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.790831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.031839 (E_RNA)
where:
Base-Base interactions energy: -154.798
where: short stacking energy: -79.914
Base-Backbone interact. energy: -0.025
local terms energy: -85.208869
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -228.227748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.227748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.227748 (E_RNA)
where:
Base-Base interactions energy: -142.590
where: short stacking energy: -66.258
Base-Backbone interact. energy: 0.778
local terms energy: -86.415755
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -16.779
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: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -326.839593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.839593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.860206 (E_RNA)
where:
Base-Base interactions energy: -221.198
where: short stacking energy: -88.665
Base-Backbone interact. energy: -0.566
local terms energy: -105.095843
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. 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: -326.297842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.297842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.861579 (E_RNA)
where:
Base-Base interactions energy: -225.691
where: short stacking energy: -100.889
Base-Backbone interact. energy: -0.547
local terms energy: -101.623545
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 1.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -295.841513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.841513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.842723 (E_RNA)
where:
Base-Base interactions energy: -192.629
where: short stacking energy: -83.358
Base-Backbone interact. energy: -0.658
local terms energy: -102.556318
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -277.174230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.174230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.492570 (E_RNA)
where:
Base-Base interactions energy: -182.553
where: short stacking energy: -92.349
Base-Backbone interact. energy: -0.015
local terms energy: -94.925057
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.318 (S_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: 184
Temperature: 1.100000
Total energy: -306.630983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.630983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.241871 (E_RNA)
where:
Base-Base interactions energy: -202.500
where: short stacking energy: -86.125
Base-Backbone interact. energy: -0.166
local terms energy: -104.575841
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -24.661
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -254.542952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.542952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.635284 (E_RNA)
where:
Base-Base interactions energy: -170.475
where: short stacking energy: -73.522
Base-Backbone interact. energy: -0.363
local terms energy: -83.797595
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -236.091663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.091663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.177810 (E_RNA)
where:
Base-Base interactions energy: -147.341
where: short stacking energy: -68.722
Base-Backbone interact. energy: -0.252
local terms energy: -88.584193
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -231.748975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.748975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.785284 (E_RNA)
where:
Base-Base interactions energy: -141.944
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.265
local terms energy: -89.575710
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.036 (S_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: 184
Temperature: 1.300000
Total energy: -237.815587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.815587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.815587 (E_RNA)
where:
Base-Base interactions energy: -154.409
where: short stacking energy: -80.007
Base-Backbone interact. energy: -0.099
local terms energy: -83.307570
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -232.765720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.765720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.184814 (E_RNA)
where:
Base-Base interactions energy: -162.747
where: short stacking energy: -79.482
Base-Backbone interact. energy: -0.078
local terms energy: -70.360035
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -323.572924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.572924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.648200 (E_RNA)
where:
Base-Base interactions energy: -210.165
where: short stacking energy: -85.138
Base-Backbone interact. energy: -0.360
local terms energy: -113.123533
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. 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: -325.643278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.643278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.257592 (E_RNA)
where:
Base-Base interactions energy: -214.349
where: short stacking energy: -94.367
Base-Backbone interact. energy: -0.111
local terms energy: -111.797687
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -29.832
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -319.761511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.761511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.048801 (E_RNA)
where:
Base-Base interactions energy: -212.122
where: short stacking energy: -89.615
Base-Backbone interact. energy: -0.310
local terms energy: -107.616869
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.287 (S_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: 185
Temperature: 1.050000
Total energy: -312.811038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.811038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.042598 (E_RNA)
where:
Base-Base interactions energy: -207.177
where: short stacking energy: -99.268
Base-Backbone interact. energy: -0.087
local terms energy: -105.778559
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -31.602
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -278.933728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.933728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.977654 (E_RNA)
where:
Base-Base interactions energy: -180.795
where: short stacking energy: -89.248
Base-Backbone interact. energy: -0.077
local terms energy: -98.105565
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.044 (S_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: -253.211061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.211061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.211061 (E_RNA)
where:
Base-Base interactions energy: -160.802
where: short stacking energy: -78.808
Base-Backbone interact. energy: -0.149
local terms energy: -92.260342
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -248.863116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.863116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.869015 (E_RNA)
where:
Base-Base interactions energy: -152.095
where: short stacking energy: -69.186
Base-Backbone interact. energy: -0.073
local terms energy: -96.701555
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -251.609440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.609440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.726260 (E_RNA)
where:
Base-Base interactions energy: -161.131
where: short stacking energy: -79.209
Base-Backbone interact. energy: -0.132
local terms energy: -90.463208
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.117 (S_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: 185
Temperature: 1.300000
Total energy: -218.685478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.685478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903451 (E_RNA)
where:
Base-Base interactions energy: -140.791
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.341
local terms energy: -77.772062
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -235.125684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.125684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.207669 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.317
local terms energy: -90.680178
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -324.386361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.386361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.718911 (E_RNA)
where:
Base-Base interactions energy: -213.929
where: short stacking energy: -98.323
Base-Backbone interact. energy: -0.080
local terms energy: -110.709954
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -26.316
Dist. restrs. and SS energy: 0.333 (S_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: 186
Temperature: 0.950000
Total energy: -291.521776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.521776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.680318 (E_RNA)
where:
Base-Base interactions energy: -199.484
where: short stacking energy: -82.575
Base-Backbone interact. energy: -0.454
local terms energy: -91.742114
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.159 (S_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: 186
Temperature: 1.000000
Total energy: -322.151510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.151510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.684449 (E_RNA)
where:
Base-Base interactions energy: -213.031
where: short stacking energy: -103.426
Base-Backbone interact. energy: -0.320
local terms energy: -109.333838
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -31.087
Dist. restrs. and SS energy: 0.533 (S_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: -292.576610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.576610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.009029 (E_RNA)
where:
Base-Base interactions energy: -191.422
where: short stacking energy: -95.910
Base-Backbone interact. energy: 1.304
local terms energy: -102.890572
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -271.671521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.671521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.768181 (E_RNA)
where:
Base-Base interactions energy: -173.244
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.197
local terms energy: -98.327059
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.097 (S_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: -255.650829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.650829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.650829 (E_RNA)
where:
Base-Base interactions energy: -166.561
where: short stacking energy: -83.240
Base-Backbone interact. energy: -0.077
local terms energy: -89.012406
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.641
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: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -253.506985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.506985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.574140 (E_RNA)
where:
Base-Base interactions energy: -159.266
where: short stacking energy: -77.739
Base-Backbone interact. energy: -0.086
local terms energy: -94.221939
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -22.673
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -250.452228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.452228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.615735 (E_RNA)
where:
Base-Base interactions energy: -166.201
where: short stacking energy: -78.846
Base-Backbone interact. energy: -0.244
local terms energy: -84.171240
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -240.583283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.583283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.638678 (E_RNA)
where:
Base-Base interactions energy: -152.112
where: short stacking energy: -74.384
Base-Backbone interact. energy: -0.071
local terms energy: -88.455303
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.055 (S_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: 186
Temperature: 1.350000
Total energy: -221.831085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.831085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.002705 (E_RNA)
where:
Base-Base interactions energy: -159.611
where: short stacking energy: -65.858
Base-Backbone interact. energy: 0.021
local terms energy: -62.412455
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -1.110
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -342.113024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.113024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.130993 (E_RNA)
where:
Base-Base interactions energy: -223.554
where: short stacking energy: -106.073
Base-Backbone interact. energy: -0.059
local terms energy: -118.517796
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -323.172051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.172051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.210378 (E_RNA)
where:
Base-Base interactions energy: -220.677
where: short stacking energy: -99.465
Base-Backbone interact. energy: -0.054
local terms energy: -102.479440
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -25.290
Dist. restrs. and SS energy: 0.038 (S_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: 187
Temperature: 1.000000
Total energy: -307.375910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.375910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.440099 (E_RNA)
where:
Base-Base interactions energy: -206.118
where: short stacking energy: -90.383
Base-Backbone interact. energy: -0.248
local terms energy: -101.073529
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -25.314
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -274.288954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.288954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.366279 (E_RNA)
where:
Base-Base interactions energy: -186.239
where: short stacking energy: -80.250
Base-Backbone interact. energy: -0.916
local terms energy: -87.210660
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -304.540338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.540338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.587464 (E_RNA)
where:
Base-Base interactions energy: -201.469
where: short stacking energy: -103.923
Base-Backbone interact. energy: -0.422
local terms energy: -102.696661
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -31.043
Dist. restrs. and SS energy: 0.047 (S_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: 187
Temperature: 1.150000
Total energy: -251.421716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.421716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.423416 (E_RNA)
where:
Base-Base interactions energy: -158.621
where: short stacking energy: -78.586
Base-Backbone interact. energy: -0.190
local terms energy: -92.611687
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.002 (S_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: -249.138574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.138574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.224727 (E_RNA)
where:
Base-Base interactions energy: -154.490
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.010
local terms energy: -94.723967
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -233.918049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.918049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.009941 (E_RNA)
where:
Base-Base interactions energy: -145.028
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.764
local terms energy: -88.217870
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -225.129520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.236310 (E_RNA)
where:
Base-Base interactions energy: -132.580
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.185
local terms energy: -92.471954
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.107 (S_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: 187
Temperature: 1.350000
Total energy: -221.839202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.925617 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.130
local terms energy: -81.341803
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. 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: -339.794668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.794668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.819806 (E_RNA)
where:
Base-Base interactions energy: -229.976
where: short stacking energy: -108.566
Base-Backbone interact. energy: 1.081
local terms energy: -110.924089
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -30.073
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -324.463170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.463170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.187560 (E_RNA)
where:
Base-Base interactions energy: -220.160
where: short stacking energy: -97.492
Base-Backbone interact. energy: -0.193
local terms energy: -104.834763
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -28.137
Dist. restrs. and SS energy: 0.724 (S_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: -322.260438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.260438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.276702 (E_RNA)
where:
Base-Base interactions energy: -229.714
where: short stacking energy: -88.265
Base-Backbone interact. energy: -0.321
local terms energy: -92.242123
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -288.938781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.938781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.949479 (E_RNA)
where:
Base-Base interactions energy: -189.762
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.547
local terms energy: -98.640127
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -266.314662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.314662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.622707 (E_RNA)
where:
Base-Base interactions energy: -170.275
where: short stacking energy: -85.512
Base-Backbone interact. energy: -0.078
local terms energy: -96.270034
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. 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: -310.560019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.560019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.617139 (E_RNA)
where:
Base-Base interactions energy: -208.372
where: short stacking energy: -101.913
Base-Backbone interact. energy: -0.009
local terms energy: -102.236326
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -241.457031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.457031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.457031 (E_RNA)
where:
Base-Base interactions energy: -158.412
where: short stacking energy: -63.051
Base-Backbone interact. energy: -0.978
local terms energy: -82.067746
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -250.562796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.562796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.562796 (E_RNA)
where:
Base-Base interactions energy: -160.080
where: short stacking energy: -76.318
Base-Backbone interact. energy: -0.015
local terms energy: -90.468125
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -21.501
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: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -228.539319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.539319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.693499 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.267
local terms energy: -98.194367
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -209.131387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.131387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232025 (E_RNA)
where:
Base-Base interactions energy: -122.973
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.542
local terms energy: -85.717588
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. 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: -325.948620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.948620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.119165 (E_RNA)
where:
Base-Base interactions energy: -222.091
where: short stacking energy: -97.549
Base-Backbone interact. energy: -0.449
local terms energy: -103.579828
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.171 (S_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: 189
Temperature: 0.950000
Total energy: -312.487957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.487957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.516711 (E_RNA)
where:
Base-Base interactions energy: -210.419
where: short stacking energy: -81.033
Base-Backbone interact. energy: -0.105
local terms energy: -101.991894
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.029 (S_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: 189
Temperature: 1.000000
Total energy: -316.634626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.634626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.723756 (E_RNA)
where:
Base-Base interactions energy: -206.206
where: short stacking energy: -98.470
Base-Backbone interact. energy: -0.106
local terms energy: -110.411581
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -260.284410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.284410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.389498 (E_RNA)
where:
Base-Base interactions energy: -173.984
where: short stacking energy: -83.719
Base-Backbone interact. energy: -0.460
local terms energy: -85.945862
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.105 (S_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: 189
Temperature: 1.100000
Total energy: -299.462870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.462870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.258423 (E_RNA)
where:
Base-Base interactions energy: -203.035
where: short stacking energy: -84.613
Base-Backbone interact. energy: -0.095
local terms energy: -97.128825
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. 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: -259.206971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.206971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.245176 (E_RNA)
where:
Base-Base interactions energy: -161.624
where: short stacking energy: -81.544
Base-Backbone interact. energy: -0.118
local terms energy: -97.503023
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -235.981128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.981128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.084966 (E_RNA)
where:
Base-Base interactions energy: -145.343
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.721
local terms energy: -90.021512
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.104 (S_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: 189
Temperature: 1.250000
Total energy: -243.581054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.581054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.581054 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.112
local terms energy: -94.057566
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -21.381
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -232.236285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.236285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.356070 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.273
local terms energy: -86.244819
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -226.962523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.962523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.962523 (E_RNA)
where:
Base-Base interactions energy: -141.935
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.005
local terms energy: -85.023230
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -11.272
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: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -328.485470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.485470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.494958 (E_RNA)
where:
Base-Base interactions energy: -220.481
where: short stacking energy: -96.266
Base-Backbone interact. energy: -0.312
local terms energy: -107.701950
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. 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: -329.679675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.679675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.945042 (E_RNA)
where:
Base-Base interactions energy: -223.833
where: short stacking energy: -92.166
Base-Backbone interact. energy: -0.190
local terms energy: -105.921678
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.265 (S_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: 190
Temperature: 1.000000
Total energy: -333.021262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.021262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.045385 (E_RNA)
where:
Base-Base interactions energy: -220.099
where: short stacking energy: -100.612
Base-Backbone interact. energy: -0.162
local terms energy: -112.784741
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -262.364842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.364842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.480817 (E_RNA)
where:
Base-Base interactions energy: -166.845
where: short stacking energy: -92.712
Base-Backbone interact. energy: -0.036
local terms energy: -95.599826
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.116 (S_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: 190
Temperature: 1.100000
Total energy: -304.135943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.135943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.135943 (E_RNA)
where:
Base-Base interactions energy: -211.966
where: short stacking energy: -89.577
Base-Backbone interact. energy: -0.703
local terms energy: -91.467804
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -256.967280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.967280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.083485 (E_RNA)
where:
Base-Base interactions energy: -169.733
where: short stacking energy: -67.914
Base-Backbone interact. energy: -0.563
local terms energy: -86.787623
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.116 (S_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: 190
Temperature: 1.200000
Total energy: -261.591736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.591736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.626682 (E_RNA)
where:
Base-Base interactions energy: -180.542
where: short stacking energy: -85.725
Base-Backbone interact. energy: -0.135
local terms energy: -80.949154
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -234.154843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.154843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.315354 (E_RNA)
where:
Base-Base interactions energy: -158.918
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.301
local terms energy: -75.096304
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -207.236442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.236442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.305268 (E_RNA)
where:
Base-Base interactions energy: -136.585
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.262
local terms energy: -70.458587
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -217.012704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.012704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.013865 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.322
local terms energy: -72.995238
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -328.468870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.468870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.468870 (E_RNA)
where:
Base-Base interactions energy: -218.115
where: short stacking energy: -102.800
Base-Backbone interact. energy: -0.101
local terms energy: -110.252302
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -27.213
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: 191
Temperature: 0.950000
Total energy: -326.659460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.659460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.723124 (E_RNA)
where:
Base-Base interactions energy: -219.850
where: short stacking energy: -99.360
Base-Backbone interact. energy: -0.230
local terms energy: -106.642426
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -29.876
Dist. restrs. and SS energy: 0.064 (S_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: 191
Temperature: 1.000000
Total energy: -328.843861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.843861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.223204 (E_RNA)
where:
Base-Base interactions energy: -224.247
where: short stacking energy: -96.621
Base-Backbone interact. energy: -0.095
local terms energy: -104.881305
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.379 (S_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: 191
Temperature: 1.050000
Total energy: -322.081222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.081222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.091025 (E_RNA)
where:
Base-Base interactions energy: -209.042
where: short stacking energy: -92.318
Base-Backbone interact. energy: 0.283
local terms energy: -113.331507
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -26.616
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -255.045689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.045689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.213176 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -83.420
Base-Backbone interact. energy: -0.280
local terms energy: -92.593236
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -286.558555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.558555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.680938 (E_RNA)
where:
Base-Base interactions energy: -193.526
where: short stacking energy: -84.105
Base-Backbone interact. energy: -0.636
local terms energy: -92.518806
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -262.440677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.440677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.531149 (E_RNA)
where:
Base-Base interactions energy: -165.878
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.033
local terms energy: -96.620856
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -241.782871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.782871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.151353 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -75.888
Base-Backbone interact. energy: -0.682
local terms energy: -88.064407
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -215.432454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.432454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.432571 (E_RNA)
where:
Base-Base interactions energy: -141.699
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.640
local terms energy: -73.093234
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -15.292
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: 191
Temperature: 1.350000
Total energy: -229.816555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.816555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.143625 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -65.233
Base-Backbone interact. energy: -0.454
local terms energy: -84.095070
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.327 (S_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: 192
Temperature: 0.900000
Total energy: -334.884448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.884448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.216339 (E_RNA)
where:
Base-Base interactions energy: -226.845
where: short stacking energy: -100.295
Base-Backbone interact. energy: -0.163
local terms energy: -108.208257
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -30.833
Dist. restrs. and SS energy: 0.332 (S_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: 192
Temperature: 0.950000
Total energy: -323.352882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.352882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.479481 (E_RNA)
where:
Base-Base interactions energy: -214.605
where: short stacking energy: -101.710
Base-Backbone interact. energy: -0.429
local terms energy: -108.445741
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.127 (S_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: -329.470646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.470646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.496451 (E_RNA)
where:
Base-Base interactions energy: -223.290
where: short stacking energy: -95.750
Base-Backbone interact. energy: -0.141
local terms energy: -106.065139
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.026 (S_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: 192
Temperature: 1.050000
Total energy: -300.691162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.691162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.864453 (E_RNA)
where:
Base-Base interactions energy: -203.536
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.451
local terms energy: -96.877286
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -294.140802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.140802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.167278 (E_RNA)
where:
Base-Base interactions energy: -193.648
where: short stacking energy: -85.708
Base-Backbone interact. energy: -0.293
local terms energy: -100.226175
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.026 (S_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: 192
Temperature: 1.150000
Total energy: -244.207195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.207195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.230480 (E_RNA)
where:
Base-Base interactions energy: -141.594
where: short stacking energy: -73.587
Base-Backbone interact. energy: -0.652
local terms energy: -101.983944
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -246.227795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.227795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.416275 (E_RNA)
where:
Base-Base interactions energy: -151.441
where: short stacking energy: -70.746
Base-Backbone interact. energy: 0.201
local terms energy: -95.175855
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -237.242580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.242580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.275689 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.269
local terms energy: -90.466738
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -234.008620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.008620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.153362 (E_RNA)
where:
Base-Base interactions energy: -149.864
where: short stacking energy: -74.014
Base-Backbone interact. energy: -1.146
local terms energy: -83.143049
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.145 (S_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: 192
Temperature: 1.350000
Total energy: -231.516357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.516357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.516357 (E_RNA)
where:
Base-Base interactions energy: -148.830
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.031
local terms energy: -82.655697
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -16.096
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: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -328.826025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.826025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.489367 (E_RNA)
where:
Base-Base interactions energy: -228.148
where: short stacking energy: -99.719
Base-Backbone interact. energy: -0.167
local terms energy: -102.174515
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -317.968730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.968730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.975465 (E_RNA)
where:
Base-Base interactions energy: -206.266
where: short stacking energy: -96.728
Base-Backbone interact. energy: -0.668
local terms energy: -111.041491
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.007 (S_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: 193
Temperature: 1.000000
Total energy: -325.962920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.962920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.068986 (E_RNA)
where:
Base-Base interactions energy: -229.365
where: short stacking energy: -93.330
Base-Backbone interact. energy: -0.106
local terms energy: -96.598393
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -306.244675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.244675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.244675 (E_RNA)
where:
Base-Base interactions energy: -199.784
where: short stacking energy: -94.847
Base-Backbone interact. energy: -0.131
local terms energy: -106.330162
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -26.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -308.258863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.258863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.364722 (E_RNA)
where:
Base-Base interactions energy: -199.867
where: short stacking energy: -94.934
Base-Backbone interact. energy: -0.221
local terms energy: -108.276920
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.106 (S_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: 193
Temperature: 1.150000
Total energy: -255.768865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.768865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.119942 (E_RNA)
where:
Base-Base interactions energy: -157.458
where: short stacking energy: -92.259
Base-Backbone interact. energy: -0.164
local terms energy: -98.497622
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.351 (S_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: 193
Temperature: 1.200000
Total energy: -252.005629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.005629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.065091 (E_RNA)
where:
Base-Base interactions energy: -161.358
where: short stacking energy: -78.340
Base-Backbone interact. energy: -0.079
local terms energy: -90.628518
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -239.712269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.712269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.742640 (E_RNA)
where:
Base-Base interactions energy: -148.906
where: short stacking energy: -68.465
Base-Backbone interact. energy: -0.989
local terms energy: -89.847081
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -246.031015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.031015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.426361 (E_RNA)
where:
Base-Base interactions energy: -153.280
where: short stacking energy: -75.776
Base-Backbone interact. energy: -0.456
local terms energy: -92.690380
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.395 (S_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: 193
Temperature: 1.350000
Total energy: -241.129076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.129076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.135536 (E_RNA)
where:
Base-Base interactions energy: -159.651
where: short stacking energy: -72.300
Base-Backbone interact. energy: 0.455
local terms energy: -81.939909
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.006 (S_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: 194
Temperature: 0.900000
Total energy: -329.404666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.404666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.745327 (E_RNA)
where:
Base-Base interactions energy: -214.602
where: short stacking energy: -108.392
Base-Backbone interact. energy: -0.001
local terms energy: -117.142766
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -32.950
Dist. restrs. and SS energy: 2.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -319.211552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.211552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.440024 (E_RNA)
where:
Base-Base interactions energy: -216.301
where: short stacking energy: -99.384
Base-Backbone interact. energy: -0.200
local terms energy: -102.938878
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -27.830
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -322.067311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.067311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.253662 (E_RNA)
where:
Base-Base interactions energy: -214.071
where: short stacking energy: -97.785
Base-Backbone interact. energy: -0.101
local terms energy: -108.081295
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.186 (S_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: -313.831496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.831496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.095228 (E_RNA)
where:
Base-Base interactions energy: -210.756
where: short stacking energy: -102.114
Base-Backbone interact. energy: -0.013
local terms energy: -103.326120
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -27.425
Dist. restrs. and SS energy: 0.264 (S_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: 194
Temperature: 1.100000
Total energy: -311.312813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.312813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.395442 (E_RNA)
where:
Base-Base interactions energy: -194.923
where: short stacking energy: -99.847
Base-Backbone interact. energy: -0.056
local terms energy: -116.416345
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -28.749
Dist. restrs. and SS energy: 0.083 (S_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: 194
Temperature: 1.150000
Total energy: -250.551706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.551706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.809650 (E_RNA)
where:
Base-Base interactions energy: -157.984
where: short stacking energy: -73.492
Base-Backbone interact. energy: -0.222
local terms energy: -92.603412
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.258 (S_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: 194
Temperature: 1.200000
Total energy: -248.010706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.010706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.059012 (E_RNA)
where:
Base-Base interactions energy: -157.546
where: short stacking energy: -68.122
Base-Backbone interact. energy: -1.365
local terms energy: -89.148147
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -248.424515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.424515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.614550 (E_RNA)
where:
Base-Base interactions energy: -158.948
where: short stacking energy: -79.701
Base-Backbone interact. energy: -0.195
local terms energy: -89.471045
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -228.614782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.614782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.759094 (E_RNA)
where:
Base-Base interactions energy: -140.808
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.007
local terms energy: -87.944114
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -224.493773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.654165 (E_RNA)
where:
Base-Base interactions energy: -144.902
where: short stacking energy: -66.287
Base-Backbone interact. energy: -1.457
local terms energy: -78.295981
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.160 (S_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: 195
Temperature: 0.900000
Total energy: -332.977175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.977175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.695637 (E_RNA)
where:
Base-Base interactions energy: -229.040
where: short stacking energy: -111.095
Base-Backbone interact. energy: -0.090
local terms energy: -105.566222
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -30.457
Dist. restrs. and SS energy: 1.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -331.385530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.385530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.447135 (E_RNA)
where:
Base-Base interactions energy: -221.157
where: short stacking energy: -101.576
Base-Backbone interact. energy: -0.333
local terms energy: -109.957083
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -29.196
Dist. restrs. and SS energy: 0.062 (S_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: -313.366389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.366389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.374725 (E_RNA)
where:
Base-Base interactions energy: -215.329
where: short stacking energy: -95.478
Base-Backbone interact. energy: -0.318
local terms energy: -97.728061
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.008 (S_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: 195
Temperature: 1.050000
Total energy: -305.048577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.048577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.074595 (E_RNA)
where:
Base-Base interactions energy: -206.095
where: short stacking energy: -83.903
Base-Backbone interact. energy: 0.840
local terms energy: -99.819792
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.026 (S_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: 195
Temperature: 1.100000
Total energy: -300.422258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.422258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.448424 (E_RNA)
where:
Base-Base interactions energy: -208.147
where: short stacking energy: -92.310
Base-Backbone interact. energy: 1.939
local terms energy: -94.240001
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.026 (S_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: 195
Temperature: 1.150000
Total energy: -251.930934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.930934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.010933 (E_RNA)
where:
Base-Base interactions energy: -153.074
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.105
local terms energy: -98.831970
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.080 (S_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: 195
Temperature: 1.200000
Total energy: -242.116212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.116212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.181220 (E_RNA)
where:
Base-Base interactions energy: -151.937
where: short stacking energy: -76.935
Base-Backbone interact. energy: -0.096
local terms energy: -90.148905
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -240.064465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.064465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.083028 (E_RNA)
where:
Base-Base interactions energy: -146.033
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.715
local terms energy: -93.335913
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -210.093939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.093939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.380185 (E_RNA)
where:
Base-Base interactions energy: -128.229
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.372
local terms energy: -81.778931
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -242.377986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.377986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.673209 (E_RNA)
where:
Base-Base interactions energy: -160.454
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.312
local terms energy: -81.906974
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.295 (S_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: 196
Temperature: 0.900000
Total energy: -323.566049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.566049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.109435 (E_RNA)
where:
Base-Base interactions energy: -210.556
where: short stacking energy: -99.733
Base-Backbone interact. energy: -1.170
local terms energy: -113.383436
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -30.803
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -319.736720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.736720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.737568 (E_RNA)
where:
Base-Base interactions energy: -211.072
where: short stacking energy: -99.861
Base-Backbone interact. energy: -0.134
local terms energy: -108.531021
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.001 (S_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: -327.090295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.090295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.129078 (E_RNA)
where:
Base-Base interactions energy: -212.440
where: short stacking energy: -100.504
Base-Backbone interact. energy: -0.321
local terms energy: -114.368116
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.039 (S_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: 196
Temperature: 1.050000
Total energy: -305.990384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.990384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.686242 (E_RNA)
where:
Base-Base interactions energy: -212.922
where: short stacking energy: -96.069
Base-Backbone interact. energy: -0.426
local terms energy: -93.338301
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -27.595
Dist. restrs. and SS energy: 0.696 (S_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: 196
Temperature: 1.100000
Total energy: -317.297086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.297086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.402345 (E_RNA)
where:
Base-Base interactions energy: -217.108
where: short stacking energy: -98.501
Base-Backbone interact. energy: -0.206
local terms energy: -100.088717
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.105 (S_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: 196
Temperature: 1.150000
Total energy: -268.799217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.799217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.820012 (E_RNA)
where:
Base-Base interactions energy: -172.411
where: short stacking energy: -90.239
Base-Backbone interact. energy: -0.123
local terms energy: -96.286356
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -249.743367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.743367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.772600 (E_RNA)
where:
Base-Base interactions energy: -161.901
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.144
local terms energy: -87.726904
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -245.054146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.054146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.068999 (E_RNA)
where:
Base-Base interactions energy: -157.621
where: short stacking energy: -84.545
Base-Backbone interact. energy: 1.768
local terms energy: -89.215868
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -25.421
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -236.118484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.118484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.215787 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.200
local terms energy: -84.989483
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.097 (S_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: 196
Temperature: 1.350000
Total energy: -217.332704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.332704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.661860 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.139
local terms energy: -83.475607
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.329 (S_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: 197
Temperature: 0.900000
Total energy: -336.402348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.402348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.819372 (E_RNA)
where:
Base-Base interactions energy: -223.330
where: short stacking energy: -106.628
Base-Backbone interact. energy: -0.094
local terms energy: -114.395405
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -333.746940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.746940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.068229 (E_RNA)
where:
Base-Base interactions energy: -222.641
where: short stacking energy: -105.793
Base-Backbone interact. energy: -0.169
local terms energy: -111.258031
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -28.201
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -317.495241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.495241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.603538 (E_RNA)
where:
Base-Base interactions energy: -217.700
where: short stacking energy: -101.029
Base-Backbone interact. energy: -0.317
local terms energy: -99.586478
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -23.891
Dist. restrs. and SS energy: 0.108 (S_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: 197
Temperature: 1.050000
Total energy: -315.092278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.092278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.152916 (E_RNA)
where:
Base-Base interactions energy: -218.233
where: short stacking energy: -89.062
Base-Backbone interact. energy: -0.245
local terms energy: -96.675065
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -269.712652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.712652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.716535 (E_RNA)
where:
Base-Base interactions energy: -156.400
where: short stacking energy: -74.718
Base-Backbone interact. energy: -0.137
local terms energy: -113.179156
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -25.212
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.004 (S_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: 197
Temperature: 1.150000
Total energy: -294.256953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.256953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.374213 (E_RNA)
where:
Base-Base interactions energy: -196.758
where: short stacking energy: -94.382
Base-Backbone interact. energy: -0.123
local terms energy: -97.493723
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -25.529
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -258.872922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.872922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.966224 (E_RNA)
where:
Base-Base interactions energy: -174.578
where: short stacking energy: -76.584
Base-Backbone interact. energy: -0.395
local terms energy: -83.993716
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.093 (S_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: -241.393774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.393774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.483181 (E_RNA)
where:
Base-Base interactions energy: -158.505
where: short stacking energy: -83.959
Base-Backbone interact. energy: -0.093
local terms energy: -82.885806
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -230.201273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.201273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.389559 (E_RNA)
where:
Base-Base interactions energy: -147.673
where: short stacking energy: -75.674
Base-Backbone interact. energy: -0.058
local terms energy: -82.658453
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.188 (S_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: 197
Temperature: 1.350000
Total energy: -221.270616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.270616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.998429 (E_RNA)
where:
Base-Base interactions energy: -126.526
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.125
local terms energy: -95.347565
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.728 (S_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: 198
Temperature: 0.900000
Total energy: -331.907808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.907808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.401853 (E_RNA)
where:
Base-Base interactions energy: -223.485
where: short stacking energy: -104.576
Base-Backbone interact. energy: -0.188
local terms energy: -110.728100
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -32.060
Dist. restrs. and SS energy: 2.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -336.551080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.551080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.563087 (E_RNA)
where:
Base-Base interactions energy: -224.773
where: short stacking energy: -97.415
Base-Backbone interact. energy: -0.218
local terms energy: -111.571624
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -26.738
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -320.092864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.092864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.211218 (E_RNA)
where:
Base-Base interactions energy: -225.512
where: short stacking energy: -94.913
Base-Backbone interact. energy: -0.457
local terms energy: -94.242846
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.118 (S_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: 198
Temperature: 1.050000
Total energy: -293.942013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.942013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.222077 (E_RNA)
where:
Base-Base interactions energy: -195.612
where: short stacking energy: -91.883
Base-Backbone interact. energy: -0.470
local terms energy: -98.140340
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -25.039
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -304.943689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.943689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.047269 (E_RNA)
where:
Base-Base interactions energy: -197.506
where: short stacking energy: -93.631
Base-Backbone interact. energy: -0.079
local terms energy: -107.462097
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -258.616870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.616870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.616870 (E_RNA)
where:
Base-Base interactions energy: -159.675
where: short stacking energy: -77.187
Base-Backbone interact. energy: -0.606
local terms energy: -98.336164
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -218.449821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.449821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.449931 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -67.706
Base-Backbone interact. energy: 1.015
local terms energy: -80.486781
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -15.870
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: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -231.020790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.020790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.140231 (E_RNA)
where:
Base-Base interactions energy: -145.367
where: short stacking energy: -57.425
Base-Backbone interact. energy: -1.211
local terms energy: -84.563091
where:
bonds (distance) C4'-P energy: -21.662
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -214.931014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.959159 (E_RNA)
where:
Base-Base interactions energy: -135.180
where: short stacking energy: -50.856
Base-Backbone interact. energy: -0.712
local terms energy: -79.067153
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -211.481605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.502793 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -62.531
Base-Backbone interact. energy: -1.153
local terms energy: -70.963786
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.021 (S_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: 199
Temperature: 0.900000
Total energy: -336.513737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.513737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.931957 (E_RNA)
where:
Base-Base interactions energy: -224.049
where: short stacking energy: -107.714
Base-Backbone interact. energy: -0.682
local terms energy: -113.200884
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -28.980
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. 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: -325.096417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.096417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.325856 (E_RNA)
where:
Base-Base interactions energy: -223.840
where: short stacking energy: -102.415
Base-Backbone interact. energy: -0.113
local terms energy: -101.373206
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -318.488525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.488525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.604639 (E_RNA)
where:
Base-Base interactions energy: -215.006
where: short stacking energy: -100.035
Base-Backbone interact. energy: 1.385
local terms energy: -104.984492
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -25.959
Dist. restrs. and SS energy: 0.116 (S_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: 199
Temperature: 1.050000
Total energy: -304.393067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.393067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.764721 (E_RNA)
where:
Base-Base interactions energy: -193.166
where: short stacking energy: -88.873
Base-Backbone interact. energy: -0.687
local terms energy: -110.911950
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -26.534
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -310.516002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.516002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.516002 (E_RNA)
where:
Base-Base interactions energy: -207.359
where: short stacking energy: -98.102
Base-Backbone interact. energy: -0.084
local terms energy: -103.073618
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -25.394
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: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -245.771688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.771688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.945291 (E_RNA)
where:
Base-Base interactions energy: -152.632
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.145
local terms energy: -93.168055
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.174 (S_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: 199
Temperature: 1.200000
Total energy: -237.256598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.256598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.322908 (E_RNA)
where:
Base-Base interactions energy: -151.152
where: short stacking energy: -80.535
Base-Backbone interact. energy: -0.314
local terms energy: -85.856671
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -228.801565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.801565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.847927 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -75.951
Base-Backbone interact. energy: -0.281
local terms energy: -83.194168
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -241.063958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.063958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.136613 (E_RNA)
where:
Base-Base interactions energy: -156.708
where: short stacking energy: -79.084
Base-Backbone interact. energy: -0.194
local terms energy: -84.234717
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -219.997484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.126026 (E_RNA)
where:
Base-Base interactions energy: -139.864
where: short stacking energy: -72.485
Base-Backbone interact. energy: -0.015
local terms energy: -80.247355
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.129 (S_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: -333.337004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.337004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.337004 (E_RNA)
where:
Base-Base interactions energy: -223.248
where: short stacking energy: -105.061
Base-Backbone interact. energy: -0.225
local terms energy: -109.864199
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -339.906705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.906705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.136019 (E_RNA)
where:
Base-Base interactions energy: -225.008
where: short stacking energy: -104.094
Base-Backbone interact. energy: -0.137
local terms energy: -116.991075
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -34.080
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -314.630643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.630643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.660534 (E_RNA)
where:
Base-Base interactions energy: -217.214
where: short stacking energy: -101.247
Base-Backbone interact. energy: -0.071
local terms energy: -97.376307
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.030 (S_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: 200
Temperature: 1.050000
Total energy: -319.864006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.864006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.036383 (E_RNA)
where:
Base-Base interactions energy: -213.702
where: short stacking energy: -104.458
Base-Backbone interact. energy: -0.022
local terms energy: -106.312224
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.172 (S_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: -251.475139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.475139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.552680 (E_RNA)
where:
Base-Base interactions energy: -156.166
where: short stacking energy: -77.670
Base-Backbone interact. energy: 2.894
local terms energy: -98.280832
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -293.079830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.079830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.602382 (E_RNA)
where:
Base-Base interactions energy: -195.913
where: short stacking energy: -82.331
Base-Backbone interact. energy: -0.152
local terms energy: -97.537157
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.523 (S_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: -273.746217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.746217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.748598 (E_RNA)
where:
Base-Base interactions energy: -174.832
where: short stacking energy: -80.407
Base-Backbone interact. energy: -0.281
local terms energy: -98.635568
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.002 (S_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: -240.789713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.789713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.843293 (E_RNA)
where:
Base-Base interactions energy: -148.826
where: short stacking energy: -74.507
Base-Backbone interact. energy: -0.391
local terms energy: -91.626186
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -238.756857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.756857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.086335 (E_RNA)
where:
Base-Base interactions energy: -161.249
where: short stacking energy: -80.236
Base-Backbone interact. energy: 0.710
local terms energy: -78.547466
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.329 (S_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: 200
Temperature: 1.350000
Total energy: -214.001764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.006518 (E_RNA)
where:
Base-Base interactions energy: -133.069
where: short stacking energy: -68.117
Base-Backbone interact. energy: 1.965
local terms energy: -82.902050
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.005 (S_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: -337.371947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.371947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.386488 (E_RNA)
where:
Base-Base interactions energy: -223.106
where: short stacking energy: -105.120
Base-Backbone interact. energy: -0.161
local terms energy: -114.119406
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -29.624
Dist. restrs. and SS energy: 0.015 (S_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: 201
Temperature: 0.950000
Total energy: -336.929951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.929951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.109633 (E_RNA)
where:
Base-Base interactions energy: -222.056
where: short stacking energy: -90.106
Base-Backbone interact. energy: -0.107
local terms energy: -114.946174
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -321.126992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.126992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.699712 (E_RNA)
where:
Base-Base interactions energy: -218.794
where: short stacking energy: -101.155
Base-Backbone interact. energy: -0.216
local terms energy: -102.690160
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -30.926
Dist. restrs. and SS energy: 0.573 (S_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: 201
Temperature: 1.050000
Total energy: -322.401981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.401981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.407215 (E_RNA)
where:
Base-Base interactions energy: -203.366
where: short stacking energy: -101.986
Base-Backbone interact. energy: -0.013
local terms energy: -119.028195
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -32.661
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -260.728323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.728323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.800237 (E_RNA)
where:
Base-Base interactions energy: -174.054
where: short stacking energy: -79.006
Base-Backbone interact. energy: -0.664
local terms energy: -86.082128
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -24.845
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -307.011219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.011219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.083083 (E_RNA)
where:
Base-Base interactions energy: -201.183
where: short stacking energy: -86.276
Base-Backbone interact. energy: -0.197
local terms energy: -105.702745
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -25.553
Dist. restrs. and SS energy: 0.072 (S_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: 201
Temperature: 1.200000
Total energy: -253.166223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.166223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.320657 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -84.888
Base-Backbone interact. energy: -0.292
local terms energy: -95.991842
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -23.196
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -245.330509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.330509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.380511 (E_RNA)
where:
Base-Base interactions energy: -161.605
where: short stacking energy: -84.014
Base-Backbone interact. energy: -0.190
local terms energy: -83.585115
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -248.946622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.946622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.032086 (E_RNA)
where:
Base-Base interactions energy: -151.065
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.298
local terms energy: -97.668628
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.085 (S_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: 201
Temperature: 1.350000
Total energy: -232.788422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.788422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.034364 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.256
local terms energy: -88.556068
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.246 (S_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: -340.306150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.306150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.665355 (E_RNA)
where:
Base-Base interactions energy: -226.260
where: short stacking energy: -113.225
Base-Backbone interact. energy: -0.088
local terms energy: -114.316946
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -30.596
Dist. restrs. and SS energy: 0.359 (S_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: 202
Temperature: 0.950000
Total energy: -332.721818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.721818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.811241 (E_RNA)
where:
Base-Base interactions energy: -225.805
where: short stacking energy: -104.556
Base-Backbone interact. energy: -0.089
local terms energy: -106.917656
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -318.643666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.643666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.757927 (E_RNA)
where:
Base-Base interactions energy: -211.491
where: short stacking energy: -98.588
Base-Backbone interact. energy: -0.101
local terms energy: -107.166066
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -306.146937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.146937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.053600 (E_RNA)
where:
Base-Base interactions energy: -203.846
where: short stacking energy: -91.855
Base-Backbone interact. energy: 0.503
local terms energy: -103.711170
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.907 (S_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: 202
Temperature: 1.100000
Total energy: -261.790675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.790675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.979066 (E_RNA)
where:
Base-Base interactions energy: -164.230
where: short stacking energy: -84.284
Base-Backbone interact. energy: -0.019
local terms energy: -97.729956
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -26.048
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -258.431115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.431115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.515575 (E_RNA)
where:
Base-Base interactions energy: -166.465
where: short stacking energy: -75.408
Base-Backbone interact. energy: -0.126
local terms energy: -91.924623
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.084 (S_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: 202
Temperature: 1.200000
Total energy: -250.446205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.446205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.501842 (E_RNA)
where:
Base-Base interactions energy: -158.405
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.434
local terms energy: -91.663087
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -253.772005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.772005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.012975 (E_RNA)
where:
Base-Base interactions energy: -166.211
where: short stacking energy: -89.269
Base-Backbone interact. energy: -0.971
local terms energy: -86.830102
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -234.506138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.506138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.879527 (E_RNA)
where:
Base-Base interactions energy: -142.067
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.152
local terms energy: -92.660950
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -226.212260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.212260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.401872 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -61.342
Base-Backbone interact. energy: -0.130
local terms energy: -85.799110
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.190 (S_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: -331.846175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.846175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.846175 (E_RNA)
where:
Base-Base interactions energy: -215.427
where: short stacking energy: -104.304
Base-Backbone interact. energy: -0.181
local terms energy: -116.238307
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -25.645
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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -331.108018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.108018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.108018 (E_RNA)
where:
Base-Base interactions energy: -227.683
where: short stacking energy: -99.995
Base-Backbone interact. energy: -0.090
local terms energy: -103.334697
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -32.675
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -323.952561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.952561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.002948 (E_RNA)
where:
Base-Base interactions energy: -212.491
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.161
local terms energy: -111.350818
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -27.369
Dist. restrs. and SS energy: 0.050 (S_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: 203
Temperature: 1.050000
Total energy: -310.802714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.802714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.884467 (E_RNA)
where:
Base-Base interactions energy: -209.662
where: short stacking energy: -98.941
Base-Backbone interact. energy: -0.209
local terms energy: -101.013496
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. 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: -282.191287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.191287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.971587 (E_RNA)
where:
Base-Base interactions energy: -177.434
where: short stacking energy: -91.197
Base-Backbone interact. energy: -0.016
local terms energy: -106.521802
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -263.043605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.043605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.065243 (E_RNA)
where:
Base-Base interactions energy: -161.370
where: short stacking energy: -83.975
Base-Backbone interact. energy: -0.024
local terms energy: -101.670785
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.022 (S_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: 203
Temperature: 1.200000
Total energy: -236.945219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.945219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013299 (E_RNA)
where:
Base-Base interactions energy: -138.612
where: short stacking energy: -71.863
Base-Backbone interact. energy: 1.689
local terms energy: -100.089817
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -258.231428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.231428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.256514 (E_RNA)
where:
Base-Base interactions energy: -167.528
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.133
local terms energy: -90.595853
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -241.415910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.415910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.448277 (E_RNA)
where:
Base-Base interactions energy: -147.967
where: short stacking energy: -65.844
Base-Backbone interact. energy: -0.825
local terms energy: -92.656001
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -209.794649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.852011 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -60.673
Base-Backbone interact. energy: 2.890
local terms energy: -70.756697
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.057 (S_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: 204
Temperature: 0.900000
Total energy: -348.578349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.578349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.634470 (E_RNA)
where:
Base-Base interactions energy: -229.024
where: short stacking energy: -104.669
Base-Backbone interact. energy: -0.159
local terms energy: -119.451368
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -33.094
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. 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: -334.785469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.785469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.801038 (E_RNA)
where:
Base-Base interactions energy: -236.392
where: short stacking energy: -99.612
Base-Backbone interact. energy: -0.156
local terms energy: -98.253345
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -330.212232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.212232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.389942 (E_RNA)
where:
Base-Base interactions energy: -225.894
where: short stacking energy: -101.908
Base-Backbone interact. energy: -0.049
local terms energy: -104.446964
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.178 (S_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: 204
Temperature: 1.050000
Total energy: -317.116394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.116394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.116394 (E_RNA)
where:
Base-Base interactions energy: -207.357
where: short stacking energy: -109.256
Base-Backbone interact. energy: -0.035
local terms energy: -109.724163
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -29.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -292.132817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.132817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.516186 (E_RNA)
where:
Base-Base interactions energy: -185.767
where: short stacking energy: -91.165
Base-Backbone interact. energy: -0.073
local terms energy: -107.675561
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 1.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -252.416967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.416967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.446547 (E_RNA)
where:
Base-Base interactions energy: -162.116
where: short stacking energy: -80.266
Base-Backbone interact. energy: -0.870
local terms energy: -89.460561
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.030 (S_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: -262.797702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.797702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.989150 (E_RNA)
where:
Base-Base interactions energy: -171.795
where: short stacking energy: -78.232
Base-Backbone interact. energy: -0.207
local terms energy: -90.986990
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -248.043306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.043306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.284509 (E_RNA)
where:
Base-Base interactions energy: -163.933
where: short stacking energy: -78.316
Base-Backbone interact. energy: -0.059
local terms energy: -84.292254
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -238.155542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.155542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.186830 (E_RNA)
where:
Base-Base interactions energy: -149.247
where: short stacking energy: -75.273
Base-Backbone interact. energy: -0.323
local terms energy: -88.616539
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.031 (S_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: 204
Temperature: 1.350000
Total energy: -202.270179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.270179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.371094 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -65.706
Base-Backbone interact. energy: 2.338
local terms energy: -65.965214
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.101 (S_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: 205
Temperature: 0.900000
Total energy: -338.573257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.573257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.573257 (E_RNA)
where:
Base-Base interactions energy: -223.794
where: short stacking energy: -104.045
Base-Backbone interact. energy: -0.047
local terms energy: -114.732659
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -32.053
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -343.566866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.566866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.566866 (E_RNA)
where:
Base-Base interactions energy: -229.370
where: short stacking energy: -106.728
Base-Backbone interact. energy: -0.709
local terms energy: -113.487866
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -13.367
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -329.413103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.413103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.581389 (E_RNA)
where:
Base-Base interactions energy: -218.395
where: short stacking energy: -105.938
Base-Backbone interact. energy: 0.475
local terms energy: -111.661909
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -29.901
Dist. restrs. and SS energy: 0.168 (S_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: 205
Temperature: 1.050000
Total energy: -317.485954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.485954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.829731 (E_RNA)
where:
Base-Base interactions energy: -208.432
where: short stacking energy: -104.893
Base-Backbone interact. energy: -0.022
local terms energy: -109.375131
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. 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: -275.455540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.455540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.734650 (E_RNA)
where:
Base-Base interactions energy: -182.930
where: short stacking energy: -85.820
Base-Backbone interact. energy: -0.821
local terms energy: -91.983445
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.279 (S_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: -274.100525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.100525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.128645 (E_RNA)
where:
Base-Base interactions energy: -180.599
where: short stacking energy: -77.180
Base-Backbone interact. energy: -0.292
local terms energy: -93.237741
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -247.883774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.883774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.922784 (E_RNA)
where:
Base-Base interactions energy: -171.238
where: short stacking energy: -78.336
Base-Backbone interact. energy: 1.478
local terms energy: -78.162663
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.039 (S_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: 205
Temperature: 1.250000
Total energy: -224.670357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.670357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.919422 (E_RNA)
where:
Base-Base interactions energy: -140.289
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.197
local terms energy: -84.433147
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -225.982707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.982707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.982707 (E_RNA)
where:
Base-Base interactions energy: -138.327
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.556
local terms energy: -87.099853
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -215.271479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.271479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.625448 (E_RNA)
where:
Base-Base interactions energy: -142.353
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.253
local terms energy: -73.019501
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -337.367365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.367365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.367365 (E_RNA)
where:
Base-Base interactions energy: -223.786
where: short stacking energy: -106.836
Base-Backbone interact. energy: -0.013
local terms energy: -113.567913
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -339.681949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.681949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.697846 (E_RNA)
where:
Base-Base interactions energy: -227.499
where: short stacking energy: -108.579
Base-Backbone interact. energy: -0.017
local terms energy: -112.181415
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -31.633
Dist. restrs. and SS energy: 0.016 (S_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: 206
Temperature: 1.000000
Total energy: -312.650857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.650857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.905241 (E_RNA)
where:
Base-Base interactions energy: -205.509
where: short stacking energy: -100.981
Base-Backbone interact. energy: -0.194
local terms energy: -107.201886
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -30.583
Dist. restrs. and SS energy: 0.254 (S_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: 206
Temperature: 1.050000
Total energy: -307.833427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.833427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.833427 (E_RNA)
where:
Base-Base interactions energy: -204.259
where: short stacking energy: -86.209
Base-Backbone interact. energy: 0.077
local terms energy: -103.651607
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -24.800
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -279.317503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.317503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.472956 (E_RNA)
where:
Base-Base interactions energy: -182.781
where: short stacking energy: -88.036
Base-Backbone interact. energy: -0.143
local terms energy: -96.548499
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -265.403710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.403710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.571709 (E_RNA)
where:
Base-Base interactions energy: -171.281
where: short stacking energy: -85.674
Base-Backbone interact. energy: -0.031
local terms energy: -94.259539
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.168 (S_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: 206
Temperature: 1.200000
Total energy: -230.655906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.655906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.718421 (E_RNA)
where:
Base-Base interactions energy: -146.563
where: short stacking energy: -74.951
Base-Backbone interact. energy: -0.096
local terms energy: -84.059354
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -238.056045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.056045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.091845 (E_RNA)
where:
Base-Base interactions energy: -148.579
where: short stacking energy: -75.577
Base-Backbone interact. energy: -0.654
local terms energy: -88.857907
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -234.598276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.598276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.746480 (E_RNA)
where:
Base-Base interactions energy: -149.663
where: short stacking energy: -81.920
Base-Backbone interact. energy: -0.116
local terms energy: -84.967955
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -213.718228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.718228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.745216 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.486
local terms energy: -76.988006
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -342.923595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.923595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.020387 (E_RNA)
where:
Base-Base interactions energy: -234.072
where: short stacking energy: -110.480
Base-Backbone interact. energy: -0.042
local terms energy: -108.906984
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -27.972
Dist. restrs. and SS energy: 0.097 (S_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: 207
Temperature: 0.950000
Total energy: -327.804896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.804896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.822653 (E_RNA)
where:
Base-Base interactions energy: -213.417
where: short stacking energy: -108.980
Base-Backbone interact. energy: -0.006
local terms energy: -114.400180
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -31.543
Dist. restrs. and SS energy: 0.018 (S_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: -328.720543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.720543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.044469 (E_RNA)
where:
Base-Base interactions energy: -219.842
where: short stacking energy: -101.597
Base-Backbone interact. energy: -0.152
local terms energy: -109.050185
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -27.606
Dist. restrs. and SS energy: 0.324 (S_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: 207
Temperature: 1.050000
Total energy: -307.648688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.648688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.791736 (E_RNA)
where:
Base-Base interactions energy: -214.059
where: short stacking energy: -103.045
Base-Backbone interact. energy: -0.011
local terms energy: -93.721394
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -29.970
Dist. restrs. and SS energy: 0.143 (S_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: 207
Temperature: 1.100000
Total energy: -287.321443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.321443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.506456 (E_RNA)
where:
Base-Base interactions energy: -192.082
where: short stacking energy: -91.698
Base-Backbone interact. energy: -0.545
local terms energy: -94.879782
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.185 (S_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: 207
Temperature: 1.150000
Total energy: -240.033330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.033330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.065238 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -79.466
Base-Backbone interact. energy: -0.096
local terms energy: -88.619222
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.032 (S_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: 207
Temperature: 1.200000
Total energy: -258.655763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.655763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.758647 (E_RNA)
where:
Base-Base interactions energy: -168.838
where: short stacking energy: -77.882
Base-Backbone interact. energy: -0.229
local terms energy: -89.691463
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -228.454290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.454290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.882725 (E_RNA)
where:
Base-Base interactions energy: -146.762
where: short stacking energy: -69.358
Base-Backbone interact. energy: -1.020
local terms energy: -81.100631
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -215.689288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.689288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.074937 (E_RNA)
where:
Base-Base interactions energy: -136.709
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.482
local terms energy: -78.883343
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -208.266464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.266464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.904427 (E_RNA)
where:
Base-Base interactions energy: -125.963
where: short stacking energy: -59.920
Base-Backbone interact. energy: -1.150
local terms energy: -81.791893
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.638 (S_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: 208
Temperature: 0.900000
Total energy: -338.857089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.857089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.877602 (E_RNA)
where:
Base-Base interactions energy: -234.799
where: short stacking energy: -101.344
Base-Backbone interact. energy: -0.059
local terms energy: -104.019866
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -343.367293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.367293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.375230 (E_RNA)
where:
Base-Base interactions energy: -229.069
where: short stacking energy: -105.595
Base-Backbone interact. energy: -0.159
local terms energy: -114.147150
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -31.887
Dist. restrs. and SS energy: 0.008 (S_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: 208
Temperature: 1.000000
Total energy: -321.785480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.785480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.069459 (E_RNA)
where:
Base-Base interactions energy: -209.080
where: short stacking energy: -109.888
Base-Backbone interact. energy: -0.065
local terms energy: -112.923481
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -34.005
Dist. restrs. and SS energy: 0.284 (S_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: 208
Temperature: 1.050000
Total energy: -280.250893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.250893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.250893 (E_RNA)
where:
Base-Base interactions energy: -179.465
where: short stacking energy: -96.743
Base-Backbone interact. energy: -0.046
local terms energy: -100.740211
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -23.531
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: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -272.381401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.381401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.412224 (E_RNA)
where:
Base-Base interactions energy: -174.734
where: short stacking energy: -89.364
Base-Backbone interact. energy: -0.157
local terms energy: -97.521132
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.031 (S_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: 208
Temperature: 1.150000
Total energy: -261.362954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.362954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.386672 (E_RNA)
where:
Base-Base interactions energy: -171.233
where: short stacking energy: -77.592
Base-Backbone interact. energy: -1.244
local terms energy: -88.909259
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -236.777183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.777183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.021674 (E_RNA)
where:
Base-Base interactions energy: -139.522
where: short stacking energy: -72.262
Base-Backbone interact. energy: -0.187
local terms energy: -97.311905
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.244 (S_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: 208
Temperature: 1.250000
Total energy: -242.511242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.511242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.516551 (E_RNA)
where:
Base-Base interactions energy: -152.316
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.707
local terms energy: -89.493717
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -204.067061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.067061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.303965 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.498
local terms energy: -77.314565
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.237 (S_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: 208
Temperature: 1.350000
Total energy: -218.584939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.584939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.767611 (E_RNA)
where:
Base-Base interactions energy: -137.836
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.539
local terms energy: -80.393323
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.183 (S_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: 209
Temperature: 0.900000
Total energy: -341.496942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.496942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.717642 (E_RNA)
where:
Base-Base interactions energy: -230.679
where: short stacking energy: -105.665
Base-Backbone interact. energy: -0.176
local terms energy: -110.863315
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -336.041784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.041784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.059696 (E_RNA)
where:
Base-Base interactions energy: -223.906
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.136
local terms energy: -112.017258
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -29.592
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -324.625778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.625778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.866740 (E_RNA)
where:
Base-Base interactions energy: -217.355
where: short stacking energy: -100.749
Base-Backbone interact. energy: -0.288
local terms energy: -107.224476
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -28.273
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -276.854551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.854551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.907226 (E_RNA)
where:
Base-Base interactions energy: -179.958
where: short stacking energy: -84.373
Base-Backbone interact. energy: -0.198
local terms energy: -96.750991
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -272.275962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.275962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.285201 (E_RNA)
where:
Base-Base interactions energy: -177.871
where: short stacking energy: -85.150
Base-Backbone interact. energy: -0.004
local terms energy: -94.410001
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -245.155262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.155262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.216729 (E_RNA)
where:
Base-Base interactions energy: -153.177
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.255
local terms energy: -91.785478
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -247.342758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.342758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.503107 (E_RNA)
where:
Base-Base interactions energy: -145.479
where: short stacking energy: -71.081
Base-Backbone interact. energy: -0.058
local terms energy: -101.966688
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -225.855075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.855075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.870321 (E_RNA)
where:
Base-Base interactions energy: -143.414
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.084
local terms energy: -82.372860
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.015 (S_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: 209
Temperature: 1.300000
Total energy: -242.604485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.604485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.368960 (E_RNA)
where:
Base-Base interactions energy: -156.006
where: short stacking energy: -72.951
Base-Backbone interact. energy: -0.548
local terms energy: -86.814573
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.764 (S_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: 209
Temperature: 1.350000
Total energy: -216.993892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.993892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.054196 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -74.193
Base-Backbone interact. energy: -0.022
local terms energy: -84.479217
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.060 (S_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: 210
Temperature: 0.900000
Total energy: -335.619458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.619458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.619458 (E_RNA)
where:
Base-Base interactions energy: -226.309
where: short stacking energy: -101.182
Base-Backbone interact. energy: -0.053
local terms energy: -109.256608
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -29.638
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -348.515190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.515190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.560831 (E_RNA)
where:
Base-Base interactions energy: -233.022
where: short stacking energy: -102.626
Base-Backbone interact. energy: -0.130
local terms energy: -115.408628
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -319.537213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.537213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.539387 (E_RNA)
where:
Base-Base interactions energy: -214.627
where: short stacking energy: -102.820
Base-Backbone interact. energy: -0.076
local terms energy: -104.836702
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -266.364508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.364508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.450458 (E_RNA)
where:
Base-Base interactions energy: -167.396
where: short stacking energy: -86.292
Base-Backbone interact. energy: -0.012
local terms energy: -99.042245
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -264.378174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.378174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.380564 (E_RNA)
where:
Base-Base interactions energy: -180.309
where: short stacking energy: -80.357
Base-Backbone interact. energy: -0.169
local terms energy: -83.902928
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -255.913731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.913731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.175707 (E_RNA)
where:
Base-Base interactions energy: -165.529
where: short stacking energy: -74.585
Base-Backbone interact. energy: -0.202
local terms energy: -90.444147
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -239.428132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.428132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.428132 (E_RNA)
where:
Base-Base interactions energy: -154.796
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.580
local terms energy: -84.052946
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -244.368192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.368192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.590499 (E_RNA)
where:
Base-Base interactions energy: -170.903
where: short stacking energy: -89.104
Base-Backbone interact. energy: -0.694
local terms energy: -72.993819
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -230.919227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.919227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.919227 (E_RNA)
where:
Base-Base interactions energy: -151.808
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.050
local terms energy: -79.061116
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -13.280
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: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -206.212367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.212367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.387087 (E_RNA)
where:
Base-Base interactions energy: -134.218
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.160
local terms energy: -72.008819
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.175 (S_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: 211
Temperature: 0.900000
Total energy: -338.813143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.813143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.848522 (E_RNA)
where:
Base-Base interactions energy: -226.403
where: short stacking energy: -102.860
Base-Backbone interact. energy: -0.098
local terms energy: -112.347443
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -331.615962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.615962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.731568 (E_RNA)
where:
Base-Base interactions energy: -222.399
where: short stacking energy: -103.939
Base-Backbone interact. energy: -0.201
local terms energy: -109.131595
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.116 (S_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: 211
Temperature: 1.000000
Total energy: -339.024820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.024820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.057162 (E_RNA)
where:
Base-Base interactions energy: -217.778
where: short stacking energy: -97.246
Base-Backbone interact. energy: -0.122
local terms energy: -121.156378
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -31.998
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -271.899009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.899009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.899968 (E_RNA)
where:
Base-Base interactions energy: -165.793
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.029
local terms energy: -106.078437
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -25.091
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -256.327172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.327172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.423328 (E_RNA)
where:
Base-Base interactions energy: -166.109
where: short stacking energy: -85.971
Base-Backbone interact. energy: -0.365
local terms energy: -89.949999
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -245.021720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.021720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.030580 (E_RNA)
where:
Base-Base interactions energy: -159.543
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.781
local terms energy: -84.706040
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.009 (S_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: 211
Temperature: 1.200000
Total energy: -245.735070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.735070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.854891 (E_RNA)
where:
Base-Base interactions energy: -152.439
where: short stacking energy: -77.460
Base-Backbone interact. energy: -0.010
local terms energy: -93.405616
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -224.553434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.553434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.591630 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.455
local terms energy: -76.177059
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -242.446688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.446688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.613194 (E_RNA)
where:
Base-Base interactions energy: -153.777
where: short stacking energy: -70.587
Base-Backbone interact. energy: -0.272
local terms energy: -88.565054
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.167 (S_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: 211
Temperature: 1.350000
Total energy: -219.958526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.958526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.180617 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -59.475
Base-Backbone interact. energy: -0.208
local terms energy: -78.725227
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.222 (S_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: 212
Temperature: 0.900000
Total energy: -338.812924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.812924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.842017 (E_RNA)
where:
Base-Base interactions energy: -227.563
where: short stacking energy: -100.464
Base-Backbone interact. energy: -0.097
local terms energy: -111.182464
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -26.783
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -333.090808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.090808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.159926 (E_RNA)
where:
Base-Base interactions energy: -224.244
where: short stacking energy: -97.618
Base-Backbone interact. energy: -0.005
local terms energy: -108.910855
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.069 (S_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: 212
Temperature: 1.000000
Total energy: -306.830356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.830356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.830356 (E_RNA)
where:
Base-Base interactions energy: -194.934
where: short stacking energy: -102.640
Base-Backbone interact. energy: -0.083
local terms energy: -111.813347
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -276.068830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.068830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.170554 (E_RNA)
where:
Base-Base interactions energy: -175.623
where: short stacking energy: -103.402
Base-Backbone interact. energy: -0.293
local terms energy: -100.254766
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.102 (S_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: -246.945809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.945809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.053855 (E_RNA)
where:
Base-Base interactions energy: -152.641
where: short stacking energy: -76.341
Base-Backbone interact. energy: -0.396
local terms energy: -94.016436
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.108 (S_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: -266.401891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.401891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.401891 (E_RNA)
where:
Base-Base interactions energy: -172.202
where: short stacking energy: -91.278
Base-Backbone interact. energy: -0.148
local terms energy: -94.051362
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -240.559326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.559326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.715910 (E_RNA)
where:
Base-Base interactions energy: -151.061
where: short stacking energy: -69.121
Base-Backbone interact. energy: -1.151
local terms energy: -88.503741
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.157 (S_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: 212
Temperature: 1.250000
Total energy: -264.397351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.397351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.490339 (E_RNA)
where:
Base-Base interactions energy: -179.758
where: short stacking energy: -73.330
Base-Backbone interact. energy: -0.065
local terms energy: -84.667091
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.093 (S_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: 212
Temperature: 1.300000
Total energy: -219.753262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.753262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.840475 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.124
local terms energy: -82.807479
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -241.729085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.729085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.056883 (E_RNA)
where:
Base-Base interactions energy: -159.325
where: short stacking energy: -74.212
Base-Backbone interact. energy: -0.050
local terms energy: -82.681984
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.328 (S_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: 213
Temperature: 0.900000
Total energy: -334.023597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.023597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.391615 (E_RNA)
where:
Base-Base interactions energy: -228.150
where: short stacking energy: -102.584
Base-Backbone interact. energy: -0.176
local terms energy: -107.065068
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 1.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -339.304876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.304876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.337049 (E_RNA)
where:
Base-Base interactions energy: -219.542
where: short stacking energy: -113.551
Base-Backbone interact. energy: -0.026
local terms energy: -119.768855
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -34.131
Dist. restrs. and SS energy: 0.032 (S_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: 213
Temperature: 1.000000
Total energy: -340.569686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.569686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.569686 (E_RNA)
where:
Base-Base interactions energy: -227.537
where: short stacking energy: -112.354
Base-Backbone interact. energy: 0.141
local terms energy: -113.173667
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -32.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -259.634248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.634248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.728774 (E_RNA)
where:
Base-Base interactions energy: -162.310
where: short stacking energy: -82.586
Base-Backbone interact. energy: -0.051
local terms energy: -97.368231
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -264.210697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.210697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.224027 (E_RNA)
where:
Base-Base interactions energy: -172.290
where: short stacking energy: -92.404
Base-Backbone interact. energy: -0.126
local terms energy: -91.808266
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.013 (S_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: 213
Temperature: 1.150000
Total energy: -243.626451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.626451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.626451 (E_RNA)
where:
Base-Base interactions energy: -156.167
where: short stacking energy: -81.517
Base-Backbone interact. energy: -0.464
local terms energy: -86.994862
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -243.393000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.393000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.398027 (E_RNA)
where:
Base-Base interactions energy: -161.682
where: short stacking energy: -77.632
Base-Backbone interact. energy: -1.120
local terms energy: -80.595931
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.005 (S_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: 213
Temperature: 1.250000
Total energy: -234.284800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.284800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.326929 (E_RNA)
where:
Base-Base interactions energy: -153.800
where: short stacking energy: -74.878
Base-Backbone interact. energy: -1.644
local terms energy: -78.882874
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.042 (S_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: 213
Temperature: 1.300000
Total energy: -224.265824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.604604 (E_RNA)
where:
Base-Base interactions energy: -147.133
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.198
local terms energy: -77.273634
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -221.620104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.620104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.620104 (E_RNA)
where:
Base-Base interactions energy: -141.205
where: short stacking energy: -70.306
Base-Backbone interact. energy: 0.126
local terms energy: -80.541636
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -343.497514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.497514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.512696 (E_RNA)
where:
Base-Base interactions energy: -229.493
where: short stacking energy: -102.078
Base-Backbone interact. energy: -0.214
local terms energy: -113.805867
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -29.822
Dist. restrs. and SS energy: 0.015 (S_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: 214
Temperature: 0.950000
Total energy: -330.308561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.308561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.350394 (E_RNA)
where:
Base-Base interactions energy: -226.111
where: short stacking energy: -93.375
Base-Backbone interact. energy: -0.014
local terms energy: -104.224945
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -32.049
Dist. restrs. and SS energy: 0.042 (S_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: 214
Temperature: 1.000000
Total energy: -331.372944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.372944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.407050 (E_RNA)
where:
Base-Base interactions energy: -212.256
where: short stacking energy: -110.799
Base-Backbone interact. energy: -0.094
local terms energy: -119.057110
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.034 (S_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: 214
Temperature: 1.050000
Total energy: -260.541445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.541445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.699853 (E_RNA)
where:
Base-Base interactions energy: -170.239
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.200
local terms energy: -90.260485
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -263.198450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.198450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.703240 (E_RNA)
where:
Base-Base interactions energy: -159.994
where: short stacking energy: -85.707
Base-Backbone interact. energy: -0.044
local terms energy: -103.665449
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.505 (S_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: 214
Temperature: 1.150000
Total energy: -251.871079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.871079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.029423 (E_RNA)
where:
Base-Base interactions energy: -160.512
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.462
local terms energy: -91.055509
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -245.989300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.989300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.382385 (E_RNA)
where:
Base-Base interactions energy: -150.411
where: short stacking energy: -82.961
Base-Backbone interact. energy: -0.057
local terms energy: -95.913597
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.393 (S_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: 214
Temperature: 1.250000
Total energy: -269.873625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.873625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.873625 (E_RNA)
where:
Base-Base interactions energy: -173.439
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.307
local terms energy: -96.127848
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -20.422
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: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -201.490495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.490495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.614563 (E_RNA)
where:
Base-Base interactions energy: -127.410
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.206
local terms energy: -73.998706
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -228.187632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.187632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.421154 (E_RNA)
where:
Base-Base interactions energy: -154.557
where: short stacking energy: -69.973
Base-Backbone interact. energy: -0.189
local terms energy: -73.674615
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -335.693644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.745718 (E_RNA)
where:
Base-Base interactions energy: -224.174
where: short stacking energy: -110.195
Base-Backbone interact. energy: -0.366
local terms energy: -111.205868
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -30.520
Dist. restrs. and SS energy: 0.052 (S_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: 215
Temperature: 0.950000
Total energy: -323.917779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.917779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.704728 (E_RNA)
where:
Base-Base interactions energy: -216.433
where: short stacking energy: -101.748
Base-Backbone interact. energy: -0.042
local terms energy: -108.229582
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -31.067
Dist. restrs. and SS energy: 0.787 (S_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: 215
Temperature: 1.000000
Total energy: -318.304365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.304365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.437970 (E_RNA)
where:
Base-Base interactions energy: -208.094
where: short stacking energy: -96.365
Base-Backbone interact. energy: -0.502
local terms energy: -109.841839
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -27.870
Dist. restrs. and SS energy: 0.134 (S_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: 215
Temperature: 1.050000
Total energy: -266.847470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.847470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.989234 (E_RNA)
where:
Base-Base interactions energy: -171.037
where: short stacking energy: -78.395
Base-Backbone interact. energy: -0.453
local terms energy: -95.498961
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -256.073257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.073257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.113618 (E_RNA)
where:
Base-Base interactions energy: -158.717
where: short stacking energy: -82.830
Base-Backbone interact. energy: -1.395
local terms energy: -96.001283
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -266.643380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.643380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.843894 (E_RNA)
where:
Base-Base interactions energy: -166.721
where: short stacking energy: -72.151
Base-Backbone interact. energy: 0.590
local terms energy: -100.713529
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.201 (S_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: 215
Temperature: 1.200000
Total energy: -248.258608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.258608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.375299 (E_RNA)
where:
Base-Base interactions energy: -153.262
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.570
local terms energy: -94.543678
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 0.117 (S_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: 215
Temperature: 1.250000
Total energy: -266.154991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.154991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.237488 (E_RNA)
where:
Base-Base interactions energy: -169.678
where: short stacking energy: -80.016
Base-Backbone interact. energy: -0.250
local terms energy: -96.309906
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.082 (S_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: 215
Temperature: 1.300000
Total energy: -204.074656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.074656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.101261 (E_RNA)
where:
Base-Base interactions energy: -131.288
where: short stacking energy: -55.146
Base-Backbone interact. energy: 1.062
local terms energy: -73.874726
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -220.092602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.092602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.472693 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.946
local terms energy: -92.312072
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.380 (S_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: 216
Temperature: 0.900000
Total energy: -333.182822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.182822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.186203 (E_RNA)
where:
Base-Base interactions energy: -225.295
where: short stacking energy: -98.300
Base-Backbone interact. energy: -0.007
local terms energy: -108.884057
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 1.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -336.070543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.070543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.215797 (E_RNA)
where:
Base-Base interactions energy: -222.228
where: short stacking energy: -110.079
Base-Backbone interact. energy: -0.081
local terms energy: -113.906967
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -30.257
Dist. restrs. and SS energy: 0.145 (S_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: 216
Temperature: 1.000000
Total energy: -333.737742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.737742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.747159 (E_RNA)
where:
Base-Base interactions energy: -224.320
where: short stacking energy: -101.667
Base-Backbone interact. energy: -0.353
local terms energy: -109.073399
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -29.978
Dist. restrs. and SS energy: 0.009 (S_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: 216
Temperature: 1.050000
Total energy: -269.967064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.967064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.079171 (E_RNA)
where:
Base-Base interactions energy: -173.650
where: short stacking energy: -81.077
Base-Backbone interact. energy: 2.353
local terms energy: -98.781710
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -277.739794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.739794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.922297 (E_RNA)
where:
Base-Base interactions energy: -175.313
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.420
local terms energy: -102.189035
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -262.443224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.443224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.483992 (E_RNA)
where:
Base-Base interactions energy: -165.788
where: short stacking energy: -77.573
Base-Backbone interact. energy: -0.526
local terms energy: -96.169722
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.041 (S_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: 216
Temperature: 1.200000
Total energy: -252.626146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.626146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.680525 (E_RNA)
where:
Base-Base interactions energy: -162.914
where: short stacking energy: -83.362
Base-Backbone interact. energy: -0.193
local terms energy: -89.574033
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.054 (S_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: 216
Temperature: 1.250000
Total energy: -251.818842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.818842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.920497 (E_RNA)
where:
Base-Base interactions energy: -159.931
where: short stacking energy: -82.865
Base-Backbone interact. energy: -0.439
local terms energy: -91.550573
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -215.129173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.129173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.133232 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.747
local terms energy: -79.005224
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.004 (S_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: 216
Temperature: 1.350000
Total energy: -205.326322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410576 (E_RNA)
where:
Base-Base interactions energy: -128.982
where: short stacking energy: -58.516
Base-Backbone interact. energy: -1.089
local terms energy: -75.339439
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.084 (S_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: 217
Temperature: 0.900000
Total energy: -327.777485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.777485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.832725 (E_RNA)
where:
Base-Base interactions energy: -217.214
where: short stacking energy: -100.877
Base-Backbone interact. energy: -0.293
local terms energy: -110.325241
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -340.116615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.116615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.126847 (E_RNA)
where:
Base-Base interactions energy: -227.662
where: short stacking energy: -114.404
Base-Backbone interact. energy: -0.108
local terms energy: -112.356756
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -327.964605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.964605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057778 (E_RNA)
where:
Base-Base interactions energy: -215.477
where: short stacking energy: -102.594
Base-Backbone interact. energy: -0.107
local terms energy: -112.474369
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -29.483
Dist. restrs. and SS energy: 0.093 (S_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: 217
Temperature: 1.050000
Total energy: -266.792212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.792212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.884293 (E_RNA)
where:
Base-Base interactions energy: -173.407
where: short stacking energy: -87.754
Base-Backbone interact. energy: -0.344
local terms energy: -93.134273
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -294.486059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.486059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.517241 (E_RNA)
where:
Base-Base interactions energy: -197.400
where: short stacking energy: -87.365
Base-Backbone interact. energy: -0.015
local terms energy: -97.102752
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -264.995104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.995104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.086750 (E_RNA)
where:
Base-Base interactions energy: -168.429
where: short stacking energy: -90.568
Base-Backbone interact. energy: 0.096
local terms energy: -96.754078
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -27.084
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -265.601958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.601958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.671982 (E_RNA)
where:
Base-Base interactions energy: -177.971
where: short stacking energy: -82.300
Base-Backbone interact. energy: 2.419
local terms energy: -90.119825
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.070 (S_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: 217
Temperature: 1.250000
Total energy: -235.111292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.111292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.174149 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -71.656
Base-Backbone interact. energy: 0.367
local terms energy: -93.281305
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -238.381845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.381845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.395232 (E_RNA)
where:
Base-Base interactions energy: -154.199
where: short stacking energy: -78.497
Base-Backbone interact. energy: -0.263
local terms energy: -83.933478
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.013 (S_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: 217
Temperature: 1.350000
Total energy: -206.049702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.049702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.337520 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -62.139
Base-Backbone interact. energy: -0.325
local terms energy: -73.797270
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -341.689312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.689312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.689312 (E_RNA)
where:
Base-Base interactions energy: -219.468
where: short stacking energy: -113.439
Base-Backbone interact. energy: -0.028
local terms energy: -122.193424
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -319.840621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.840621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.913198 (E_RNA)
where:
Base-Base interactions energy: -214.431
where: short stacking energy: -90.650
Base-Backbone interact. energy: -0.818
local terms energy: -104.663691
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -317.889327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.889327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.889327 (E_RNA)
where:
Base-Base interactions energy: -214.763
where: short stacking energy: -99.761
Base-Backbone interact. energy: 0.302
local terms energy: -103.428023
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -27.648
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: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -292.668664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.668664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.729712 (E_RNA)
where:
Base-Base interactions energy: -185.912
where: short stacking energy: -82.931
Base-Backbone interact. energy: -0.048
local terms energy: -106.770015
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -30.729
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -281.331749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.331749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.338612 (E_RNA)
where:
Base-Base interactions energy: -189.338
where: short stacking energy: -87.513
Base-Backbone interact. energy: -0.469
local terms energy: -91.530847
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -243.214199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.214199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.323114 (E_RNA)
where:
Base-Base interactions energy: -150.382
where: short stacking energy: -77.706
Base-Backbone interact. energy: -0.242
local terms energy: -92.699458
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.109 (S_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: -244.481802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.481802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.563944 (E_RNA)
where:
Base-Base interactions energy: -152.285
where: short stacking energy: -77.569
Base-Backbone interact. energy: -0.575
local terms energy: -91.703635
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -252.625073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.625073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.699462 (E_RNA)
where:
Base-Base interactions energy: -167.891
where: short stacking energy: -79.961
Base-Backbone interact. energy: 0.152
local terms energy: -84.960510
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -238.679015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.679015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.679015 (E_RNA)
where:
Base-Base interactions energy: -154.616
where: short stacking energy: -77.536
Base-Backbone interact. energy: -0.857
local terms energy: -83.205523
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -217.224364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.224364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.280243 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -66.638
Base-Backbone interact. energy: -0.944
local terms energy: -82.182798
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -340.373432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.373432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.499357 (E_RNA)
where:
Base-Base interactions energy: -222.766
where: short stacking energy: -109.416
Base-Backbone interact. energy: -0.008
local terms energy: -117.724835
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -31.305
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -322.288207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.288207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.358936 (E_RNA)
where:
Base-Base interactions energy: -209.329
where: short stacking energy: -100.153
Base-Backbone interact. energy: -0.023
local terms energy: -113.006374
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.071 (S_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: 219
Temperature: 1.000000
Total energy: -313.920344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.920344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.330973 (E_RNA)
where:
Base-Base interactions energy: -209.819
where: short stacking energy: -81.402
Base-Backbone interact. energy: -0.322
local terms energy: -104.189993
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -25.070
Dist. restrs. and SS energy: 0.411 (S_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: 219
Temperature: 1.050000
Total energy: -308.799681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.799681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.814175 (E_RNA)
where:
Base-Base interactions energy: -202.054
where: short stacking energy: -101.186
Base-Backbone interact. energy: 0.351
local terms energy: -107.110646
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -287.568381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.568381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.739382 (E_RNA)
where:
Base-Base interactions energy: -176.145
where: short stacking energy: -88.115
Base-Backbone interact. energy: -0.077
local terms energy: -111.517534
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -25.264
Dist. restrs. and SS energy: 0.171 (S_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: -244.325585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.325585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.325585 (E_RNA)
where:
Base-Base interactions energy: -153.431
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.425
local terms energy: -90.469165
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -252.127415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.127415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.162650 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -78.785
Base-Backbone interact. energy: -0.451
local terms energy: -91.899769
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -245.323391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.323391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.525629 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.153
local terms energy: -91.322189
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -232.503426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.503426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.587834 (E_RNA)
where:
Base-Base interactions energy: -143.918
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.894
local terms energy: -87.775137
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.084 (S_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: 219
Temperature: 1.350000
Total energy: -217.743783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.743783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.869405 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.235
local terms energy: -84.337357
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -332.343630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.343630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.353939 (E_RNA)
where:
Base-Base interactions energy: -219.209
where: short stacking energy: -112.403
Base-Backbone interact. energy: -0.044
local terms energy: -113.101512
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -33.080
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -331.701837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.701837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.230819 (E_RNA)
where:
Base-Base interactions energy: -224.657
where: short stacking energy: -99.147
Base-Backbone interact. energy: -0.461
local terms energy: -107.112319
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -326.255131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.255131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.414308 (E_RNA)
where:
Base-Base interactions energy: -211.688
where: short stacking energy: -100.098
Base-Backbone interact. energy: 0.934
local terms energy: -115.660458
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.159 (S_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: 220
Temperature: 1.050000
Total energy: -302.427362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.427362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.448885 (E_RNA)
where:
Base-Base interactions energy: -215.278
where: short stacking energy: -93.355
Base-Backbone interact. energy: 2.170
local terms energy: -89.340692
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -297.205415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.205415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.724966 (E_RNA)
where:
Base-Base interactions energy: -207.799
where: short stacking energy: -94.215
Base-Backbone interact. energy: -0.340
local terms energy: -89.585739
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: 0.520 (S_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: -266.319191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.319191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.328485 (E_RNA)
where:
Base-Base interactions energy: -167.551
where: short stacking energy: -93.818
Base-Backbone interact. energy: -0.191
local terms energy: -98.586477
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.009 (S_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: 220
Temperature: 1.200000
Total energy: -241.844167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.844167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.944469 (E_RNA)
where:
Base-Base interactions energy: -155.551
where: short stacking energy: -73.072
Base-Backbone interact. energy: -1.340
local terms energy: -85.053370
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.100 (S_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: 220
Temperature: 1.250000
Total energy: -233.659444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.659444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.659729 (E_RNA)
where:
Base-Base interactions energy: -148.275
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.479
local terms energy: -84.906213
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -239.841582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.841582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.864741 (E_RNA)
where:
Base-Base interactions energy: -150.731
where: short stacking energy: -69.062
Base-Backbone interact. energy: -0.414
local terms energy: -88.720084
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.023 (S_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: 220
Temperature: 1.350000
Total energy: -222.462625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.462625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.462625 (E_RNA)
where:
Base-Base interactions energy: -140.204
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.270
local terms energy: -81.989073
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -6.201
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -340.440735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.440735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.448575 (E_RNA)
where:
Base-Base interactions energy: -219.209
where: short stacking energy: -110.449
Base-Backbone interact. energy: -0.113
local terms energy: -121.126153
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -329.607868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.607868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.892025 (E_RNA)
where:
Base-Base interactions energy: -225.033
where: short stacking energy: -96.625
Base-Backbone interact. energy: -0.361
local terms energy: -104.497949
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -26.189
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -314.942758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.942758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.973494 (E_RNA)
where:
Base-Base interactions energy: -208.480
where: short stacking energy: -92.875
Base-Backbone interact. energy: -0.113
local terms energy: -106.380771
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -26.744
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -307.119285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.119285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.268621 (E_RNA)
where:
Base-Base interactions energy: -202.530
where: short stacking energy: -96.953
Base-Backbone interact. energy: -0.175
local terms energy: -104.563583
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -27.447
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -276.542739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.542739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.563618 (E_RNA)
where:
Base-Base interactions energy: -179.716
where: short stacking energy: -80.895
Base-Backbone interact. energy: -0.023
local terms energy: -96.824705
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -232.170204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.170204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.190625 (E_RNA)
where:
Base-Base interactions energy: -145.248
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.155
local terms energy: -86.788205
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.020 (S_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: 221
Temperature: 1.200000
Total energy: -248.637645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.637645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.651652 (E_RNA)
where:
Base-Base interactions energy: -157.323
where: short stacking energy: -76.197
Base-Backbone interact. energy: 2.427
local terms energy: -93.756273
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -255.504158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.504158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.667549 (E_RNA)
where:
Base-Base interactions energy: -157.973
where: short stacking energy: -78.495
Base-Backbone interact. energy: -0.031
local terms energy: -97.663453
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.163 (S_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: 221
Temperature: 1.300000
Total energy: -226.759278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.759278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.784742 (E_RNA)
where:
Base-Base interactions energy: -148.059
where: short stacking energy: -72.634
Base-Backbone interact. energy: -0.006
local terms energy: -78.720162
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.025 (S_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: 221
Temperature: 1.350000
Total energy: -230.905690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.905690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.917047 (E_RNA)
where:
Base-Base interactions energy: -141.922
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.879
local terms energy: -88.116490
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -342.183223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.183223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.369707 (E_RNA)
where:
Base-Base interactions energy: -228.717
where: short stacking energy: -96.873
Base-Backbone interact. energy: 0.050
local terms energy: -113.703082
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -27.303
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -332.653605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.653605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.690473 (E_RNA)
where:
Base-Base interactions energy: -225.888
where: short stacking energy: -114.413
Base-Backbone interact. energy: -0.055
local terms energy: -106.746858
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -330.477159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.477159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.606930 (E_RNA)
where:
Base-Base interactions energy: -222.768
where: short stacking energy: -103.035
Base-Backbone interact. energy: -0.706
local terms energy: -107.132991
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -27.402
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -302.273767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.273767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.281494 (E_RNA)
where:
Base-Base interactions energy: -204.237
where: short stacking energy: -94.219
Base-Backbone interact. energy: -0.123
local terms energy: -97.921437
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -23.679
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -287.245736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.245736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.286695 (E_RNA)
where:
Base-Base interactions energy: -184.716
where: short stacking energy: -97.211
Base-Backbone interact. energy: 1.900
local terms energy: -104.470975
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -31.688
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -267.438122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.438122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.115494 (E_RNA)
where:
Base-Base interactions energy: -184.268
where: short stacking energy: -76.719
Base-Backbone interact. energy: -0.295
local terms energy: -83.553375
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -280.434181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.434181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.654505 (E_RNA)
where:
Base-Base interactions energy: -179.082
where: short stacking energy: -94.108
Base-Backbone interact. energy: -0.128
local terms energy: -101.444725
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.220 (S_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: 222
Temperature: 1.250000
Total energy: -247.396759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.396759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.396759 (E_RNA)
where:
Base-Base interactions energy: -147.372
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.321
local terms energy: -99.703460
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -236.250041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.250041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.369887 (E_RNA)
where:
Base-Base interactions energy: -149.446
where: short stacking energy: -77.147
Base-Backbone interact. energy: -0.178
local terms energy: -86.745416
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -206.695891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.695891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.790868 (E_RNA)
where:
Base-Base interactions energy: -125.235
where: short stacking energy: -49.546
Base-Backbone interact. energy: -1.054
local terms energy: -80.502140
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -323.004466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.004466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.124712 (E_RNA)
where:
Base-Base interactions energy: -217.706
where: short stacking energy: -96.076
Base-Backbone interact. energy: -0.128
local terms energy: -105.290219
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -330.361817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.361817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.422546 (E_RNA)
where:
Base-Base interactions energy: -219.740
where: short stacking energy: -103.584
Base-Backbone interact. energy: -0.026
local terms energy: -110.656936
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.061 (S_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: 223
Temperature: 1.000000
Total energy: -336.770519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.770519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.876232 (E_RNA)
where:
Base-Base interactions energy: -228.563
where: short stacking energy: -116.700
Base-Backbone interact. energy: -0.150
local terms energy: -108.164006
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -33.757
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -301.391726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.391726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.409410 (E_RNA)
where:
Base-Base interactions energy: -190.648
where: short stacking energy: -86.023
Base-Backbone interact. energy: -0.087
local terms energy: -110.674548
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -312.401278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.401278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.344204 (E_RNA)
where:
Base-Base interactions energy: -208.907
where: short stacking energy: -109.340
Base-Backbone interact. energy: -0.120
local terms energy: -106.316887
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -274.105376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.105376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.304415 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.530
local terms energy: -98.666258
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -281.066982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.066982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.969886 (E_RNA)
where:
Base-Base interactions energy: -188.940
where: short stacking energy: -91.368
Base-Backbone interact. energy: 1.032
local terms energy: -94.061726
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.903 (S_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: 223
Temperature: 1.250000
Total energy: -236.878245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.878245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883287 (E_RNA)
where:
Base-Base interactions energy: -150.127
where: short stacking energy: -73.927
Base-Backbone interact. energy: 2.024
local terms energy: -88.780404
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -22.520
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -224.712518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.712518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.942190 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -70.550
Base-Backbone interact. energy: 1.224
local terms energy: -84.080173
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -207.817501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.831924 (E_RNA)
where:
Base-Base interactions energy: -144.085
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.146
local terms energy: -63.601366
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -332.225619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.225619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.314118 (E_RNA)
where:
Base-Base interactions energy: -219.499
where: short stacking energy: -108.645
Base-Backbone interact. energy: -0.010
local terms energy: -112.805292
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -31.382
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -329.477107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.477107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.529817 (E_RNA)
where:
Base-Base interactions energy: -219.533
where: short stacking energy: -108.381
Base-Backbone interact. energy: -0.001
local terms energy: -109.995569
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.053 (S_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: 224
Temperature: 1.000000
Total energy: -325.557837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.557837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.660910 (E_RNA)
where:
Base-Base interactions energy: -218.703
where: short stacking energy: -108.514
Base-Backbone interact. energy: -0.298
local terms energy: -106.659103
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -29.165
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -321.531057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.531057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.539028 (E_RNA)
where:
Base-Base interactions energy: -210.643
where: short stacking energy: -102.660
Base-Backbone interact. energy: -0.092
local terms energy: -110.804215
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. 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: -295.503016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.503016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.587093 (E_RNA)
where:
Base-Base interactions energy: -189.419
where: short stacking energy: -93.290
Base-Backbone interact. energy: -0.666
local terms energy: -105.501653
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -281.832837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.832837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.212564 (E_RNA)
where:
Base-Base interactions energy: -179.521
where: short stacking energy: -84.551
Base-Backbone interact. energy: -0.146
local terms energy: -104.544923
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 2.380 (S_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: 224
Temperature: 1.200000
Total energy: -229.520838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.520838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.858951 (E_RNA)
where:
Base-Base interactions energy: -140.793
where: short stacking energy: -54.955
Base-Backbone interact. energy: 0.963
local terms energy: -90.028270
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -278.360111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.360111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.421951 (E_RNA)
where:
Base-Base interactions energy: -183.049
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.137
local terms energy: -95.235973
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.062 (S_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: 224
Temperature: 1.300000
Total energy: -214.707057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.707057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.921552 (E_RNA)
where:
Base-Base interactions energy: -139.310
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.419
local terms energy: -75.192212
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -209.320882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.320882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.332801 (E_RNA)
where:
Base-Base interactions energy: -128.450
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.384
local terms energy: -80.498864
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -334.954292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.954292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.954292 (E_RNA)
where:
Base-Base interactions energy: -233.035
where: short stacking energy: -116.261
Base-Backbone interact. energy: 0.087
local terms energy: -102.005998
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -32.325
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -335.222428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.222428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.222428 (E_RNA)
where:
Base-Base interactions energy: -231.091
where: short stacking energy: -104.981
Base-Backbone interact. energy: -0.018
local terms energy: -104.113455
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -26.992
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: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -307.040677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.040677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.244499 (E_RNA)
where:
Base-Base interactions energy: -197.701
where: short stacking energy: -103.196
Base-Backbone interact. energy: -0.234
local terms energy: -109.309224
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -28.281
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -308.721884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.721884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.721884 (E_RNA)
where:
Base-Base interactions energy: -195.269
where: short stacking energy: -92.257
Base-Backbone interact. energy: -0.326
local terms energy: -113.127221
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -27.390
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -303.146700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.146700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.314440 (E_RNA)
where:
Base-Base interactions energy: -212.324
where: short stacking energy: -98.226
Base-Backbone interact. energy: -0.055
local terms energy: -90.935260
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. 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: -289.686014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.686014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.211205 (E_RNA)
where:
Base-Base interactions energy: -190.514
where: short stacking energy: -83.887
Base-Backbone interact. energy: -0.270
local terms energy: -100.427419
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 1.525 (S_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: 225
Temperature: 1.200000
Total energy: -244.730494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.730494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.970219 (E_RNA)
where:
Base-Base interactions energy: -153.819
where: short stacking energy: -79.039
Base-Backbone interact. energy: -0.249
local terms energy: -90.902543
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.240 (S_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: 225
Temperature: 1.250000
Total energy: -242.162704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.162704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.217304 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -75.361
Base-Backbone interact. energy: -0.464
local terms energy: -91.325718
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -247.379148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.379148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.172575 (E_RNA)
where:
Base-Base interactions energy: -154.858
where: short stacking energy: -81.473
Base-Backbone interact. energy: -0.097
local terms energy: -93.217750
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -204.189747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.189747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.616327 (E_RNA)
where:
Base-Base interactions energy: -135.421
where: short stacking energy: -55.394
Base-Backbone interact. energy: -1.480
local terms energy: -67.715461
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -337.255429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.255429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.318810 (E_RNA)
where:
Base-Base interactions energy: -222.598
where: short stacking energy: -110.936
Base-Backbone interact. energy: -0.035
local terms energy: -114.685812
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -31.903
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -322.122260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.122260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.122260 (E_RNA)
where:
Base-Base interactions energy: -213.996
where: short stacking energy: -90.739
Base-Backbone interact. energy: -0.728
local terms energy: -107.398376
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -311.818717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.818717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.931629 (E_RNA)
where:
Base-Base interactions energy: -202.028
where: short stacking energy: -107.285
Base-Backbone interact. energy: -0.338
local terms energy: -109.565887
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -29.613
Dist. restrs. and SS energy: 0.113 (S_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: 226
Temperature: 1.050000
Total energy: -286.827490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.827490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.906888 (E_RNA)
where:
Base-Base interactions energy: -188.603
where: short stacking energy: -84.787
Base-Backbone interact. energy: -0.044
local terms energy: -98.260009
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. 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: -306.152469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.152469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.182791 (E_RNA)
where:
Base-Base interactions energy: -210.876
where: short stacking energy: -101.796
Base-Backbone interact. energy: -0.064
local terms energy: -95.243088
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -29.426
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -287.670213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.670213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.713211 (E_RNA)
where:
Base-Base interactions energy: -186.403
where: short stacking energy: -87.903
Base-Backbone interact. energy: -0.109
local terms energy: -101.200963
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.043 (S_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: 226
Temperature: 1.200000
Total energy: -255.575121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.575121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.580254 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -89.331
Base-Backbone interact. energy: -0.169
local terms energy: -94.635657
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.005 (S_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: 226
Temperature: 1.250000
Total energy: -239.072388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.072388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.192847 (E_RNA)
where:
Base-Base interactions energy: -152.289
where: short stacking energy: -75.660
Base-Backbone interact. energy: 0.180
local terms energy: -87.083638
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -214.980524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.980524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.980524 (E_RNA)
where:
Base-Base interactions energy: -137.996
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.528
local terms energy: -76.456694
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -227.661174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.661174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.711011 (E_RNA)
where:
Base-Base interactions energy: -151.493
where: short stacking energy: -68.689
Base-Backbone interact. energy: 0.918
local terms energy: -77.136456
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -329.872988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.872988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.927577 (E_RNA)
where:
Base-Base interactions energy: -217.914
where: short stacking energy: -105.769
Base-Backbone interact. energy: -1.091
local terms energy: -110.922890
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -27.295
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -337.147609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.147609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.337950 (E_RNA)
where:
Base-Base interactions energy: -231.532
where: short stacking energy: -100.975
Base-Backbone interact. energy: -0.707
local terms energy: -105.098812
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -310.312645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.312645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.471606 (E_RNA)
where:
Base-Base interactions energy: -207.845
where: short stacking energy: -90.986
Base-Backbone interact. energy: -1.075
local terms energy: -101.551690
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -315.745479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.745479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.745479 (E_RNA)
where:
Base-Base interactions energy: -210.725
where: short stacking energy: -104.916
Base-Backbone interact. energy: -0.709
local terms energy: -104.311844
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -30.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -284.263132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.263132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.357874 (E_RNA)
where:
Base-Base interactions energy: -176.740
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.928
local terms energy: -106.689891
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. 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: -292.466384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.466384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.906863 (E_RNA)
where:
Base-Base interactions energy: -195.417
where: short stacking energy: -87.411
Base-Backbone interact. energy: -0.616
local terms energy: -96.873831
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.440 (S_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: 227
Temperature: 1.200000
Total energy: -244.695044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.695044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.831437 (E_RNA)
where:
Base-Base interactions energy: -158.640
where: short stacking energy: -76.380
Base-Backbone interact. energy: 0.486
local terms energy: -86.678224
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.136 (S_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: 227
Temperature: 1.250000
Total energy: -235.402309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.402309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.432033 (E_RNA)
where:
Base-Base interactions energy: -146.902
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.602
local terms energy: -87.927336
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.030 (S_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: 227
Temperature: 1.300000
Total energy: -237.903152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.903152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.004116 (E_RNA)
where:
Base-Base interactions energy: -151.386
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.244
local terms energy: -86.373725
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -209.763694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.763694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.059169 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -62.418
Base-Backbone interact. energy: -1.234
local terms energy: -73.985375
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 0.295 (S_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: 228
Temperature: 0.900000
Total energy: -341.377410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.377410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.380953 (E_RNA)
where:
Base-Base interactions energy: -222.614
where: short stacking energy: -105.415
Base-Backbone interact. energy: -0.103
local terms energy: -118.663841
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -29.931
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -326.164531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.164531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.487316 (E_RNA)
where:
Base-Base interactions energy: -214.401
where: short stacking energy: -101.471
Base-Backbone interact. energy: -0.010
local terms energy: -112.076356
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -29.528
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -310.780558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.780558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.852627 (E_RNA)
where:
Base-Base interactions energy: -201.073
where: short stacking energy: -94.462
Base-Backbone interact. energy: 0.023
local terms energy: -109.802074
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -312.341291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.341291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.443868 (E_RNA)
where:
Base-Base interactions energy: -203.873
where: short stacking energy: -101.671
Base-Backbone interact. energy: -0.204
local terms energy: -108.366344
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. 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: -300.906332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.906332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.998259 (E_RNA)
where:
Base-Base interactions energy: -208.223
where: short stacking energy: -95.983
Base-Backbone interact. energy: 0.466
local terms energy: -93.240820
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -284.340285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.340285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.433885 (E_RNA)
where:
Base-Base interactions energy: -187.002
where: short stacking energy: -87.517
Base-Backbone interact. energy: -0.066
local terms energy: -97.365032
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.094 (S_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: 228
Temperature: 1.200000
Total energy: -257.757496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.757496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.757496 (E_RNA)
where:
Base-Base interactions energy: -159.136
where: short stacking energy: -76.092
Base-Backbone interact. energy: -0.104
local terms energy: -98.517311
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -226.021996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.021996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.063371 (E_RNA)
where:
Base-Base interactions energy: -142.808
where: short stacking energy: -62.367
Base-Backbone interact. energy: -0.295
local terms energy: -82.960048
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.041 (S_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: 228
Temperature: 1.300000
Total energy: -233.895994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.895994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.954196 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.747
local terms energy: -92.498856
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -227.505386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.505386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.741712 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -70.797
Base-Backbone interact. energy: -0.019
local terms energy: -83.996920
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.236 (S_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: 229
Temperature: 0.900000
Total energy: -336.331429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.331429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.338431 (E_RNA)
where:
Base-Base interactions energy: -226.757
where: short stacking energy: -104.418
Base-Backbone interact. energy: -0.084
local terms energy: -109.497847
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -32.966
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -336.283248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.283248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.400507 (E_RNA)
where:
Base-Base interactions energy: -226.065
where: short stacking energy: -100.954
Base-Backbone interact. energy: 0.109
local terms energy: -110.444319
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -31.392
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -324.766152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.766152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.756825 (E_RNA)
where:
Base-Base interactions energy: -220.794
where: short stacking energy: -111.148
Base-Backbone interact. energy: -0.067
local terms energy: -105.896301
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -34.540
Dist. restrs. and SS energy: 1.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -297.944047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.944047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.048829 (E_RNA)
where:
Base-Base interactions energy: -204.018
where: short stacking energy: -96.587
Base-Backbone interact. energy: -0.184
local terms energy: -93.847212
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.105 (S_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: 229
Temperature: 1.100000
Total energy: -272.485907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.485907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.558281 (E_RNA)
where:
Base-Base interactions energy: -169.096
where: short stacking energy: -84.455
Base-Backbone interact. energy: -0.118
local terms energy: -103.344693
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -300.228791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.228791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.286656 (E_RNA)
where:
Base-Base interactions energy: -201.918
where: short stacking energy: -93.483
Base-Backbone interact. energy: -0.113
local terms energy: -98.255401
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -27.954
Dist. restrs. and SS energy: 0.058 (S_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: 229
Temperature: 1.200000
Total energy: -253.403262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.403262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.428618 (E_RNA)
where:
Base-Base interactions energy: -154.418
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.113
local terms energy: -98.897436
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -230.282519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.282519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.538932 (E_RNA)
where:
Base-Base interactions energy: -153.299
where: short stacking energy: -74.401
Base-Backbone interact. energy: -0.878
local terms energy: -76.362300
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.256 (S_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: 229
Temperature: 1.300000
Total energy: -230.788708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.788708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.870420 (E_RNA)
where:
Base-Base interactions energy: -143.080
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.067
local terms energy: -87.722985
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -241.345689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.345689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.485400 (E_RNA)
where:
Base-Base interactions energy: -148.305
where: short stacking energy: -75.854
Base-Backbone interact. energy: -1.514
local terms energy: -91.667046
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.140 (S_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: 230
Temperature: 0.900000
Total energy: -345.724770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.724770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.735998 (E_RNA)
where:
Base-Base interactions energy: -230.984
where: short stacking energy: -109.899
Base-Backbone interact. energy: -0.634
local terms energy: -114.118148
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -31.279
Dist. restrs. and SS energy: 0.011 (S_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: 230
Temperature: 0.950000
Total energy: -325.157618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.157618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.169723 (E_RNA)
where:
Base-Base interactions energy: -210.430
where: short stacking energy: -100.451
Base-Backbone interact. energy: -0.079
local terms energy: -114.661080
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -32.031
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -327.624465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.624465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.215896 (E_RNA)
where:
Base-Base interactions energy: -215.256
where: short stacking energy: -114.003
Base-Backbone interact. energy: -0.240
local terms energy: -113.719776
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 1.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -300.220870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.220870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.378365 (E_RNA)
where:
Base-Base interactions energy: -190.408
where: short stacking energy: -87.201
Base-Backbone interact. energy: -0.143
local terms energy: -109.827182
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.157 (S_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: 230
Temperature: 1.100000
Total energy: -301.619897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.619897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.643166 (E_RNA)
where:
Base-Base interactions energy: -207.670
where: short stacking energy: -92.431
Base-Backbone interact. energy: -0.025
local terms energy: -93.948437
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: 0.023 (S_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: 230
Temperature: 1.150000
Total energy: -266.896809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.896809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.983300 (E_RNA)
where:
Base-Base interactions energy: -171.665
where: short stacking energy: -90.553
Base-Backbone interact. energy: 2.881
local terms energy: -98.199238
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.086 (S_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: 230
Temperature: 1.200000
Total energy: -257.411932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.411932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.426701 (E_RNA)
where:
Base-Base interactions energy: -170.768
where: short stacking energy: -75.549
Base-Backbone interact. energy: -0.062
local terms energy: -86.595828
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.015 (S_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: 230
Temperature: 1.250000
Total energy: -237.625342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.625342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.071389 (E_RNA)
where:
Base-Base interactions energy: -160.206
where: short stacking energy: -68.721
Base-Backbone interact. energy: -1.040
local terms energy: -76.825388
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -219.147845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.147845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211195 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.264
local terms energy: -76.630637
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.063 (S_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: 230
Temperature: 1.350000
Total energy: -235.437154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.437154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.875996 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.789
local terms energy: -88.269310
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.439 (S_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: 231
Temperature: 0.900000
Total energy: -348.049180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.049180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.209111 (E_RNA)
where:
Base-Base interactions energy: -232.242
where: short stacking energy: -120.412
Base-Backbone interact. energy: -0.005
local terms energy: -115.961998
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -35.896
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -330.596613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.596613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.180419 (E_RNA)
where:
Base-Base interactions energy: -222.088
where: short stacking energy: -109.280
Base-Backbone interact. energy: -0.101
local terms energy: -109.991426
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -31.584
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -319.383517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.383517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.397231 (E_RNA)
where:
Base-Base interactions energy: -220.433
where: short stacking energy: -104.052
Base-Backbone interact. energy: 1.676
local terms energy: -100.640478
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.014 (S_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: 231
Temperature: 1.050000
Total energy: -302.472708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.472708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.650249 (E_RNA)
where:
Base-Base interactions energy: -195.058
where: short stacking energy: -88.496
Base-Backbone interact. energy: 0.146
local terms energy: -107.738257
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -285.623824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.623824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.652306 (E_RNA)
where:
Base-Base interactions energy: -192.106
where: short stacking energy: -99.357
Base-Backbone interact. energy: -0.138
local terms energy: -93.408297
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.028 (S_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: 231
Temperature: 1.150000
Total energy: -265.385862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.385862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.440012 (E_RNA)
where:
Base-Base interactions energy: -185.750
where: short stacking energy: -75.979
Base-Backbone interact. energy: -0.428
local terms energy: -79.261871
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -266.763006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.763006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.786546 (E_RNA)
where:
Base-Base interactions energy: -171.232
where: short stacking energy: -81.569
Base-Backbone interact. energy: -0.158
local terms energy: -95.397035
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -242.119995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.119995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.134606 (E_RNA)
where:
Base-Base interactions energy: -160.137
where: short stacking energy: -70.600
Base-Backbone interact. energy: -0.183
local terms energy: -81.814759
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.015 (S_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: 231
Temperature: 1.300000
Total energy: -226.519410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.519410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.535953 (E_RNA)
where:
Base-Base interactions energy: -141.735
where: short stacking energy: -60.117
Base-Backbone interact. energy: -1.099
local terms energy: -83.701426
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.017 (S_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: 231
Temperature: 1.350000
Total energy: -217.687655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.687655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.723428 (E_RNA)
where:
Base-Base interactions energy: -129.003
where: short stacking energy: -64.090
Base-Backbone interact. energy: 0.102
local terms energy: -88.822230
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.036 (S_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: 232
Temperature: 0.900000
Total energy: -353.873627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.873627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.902516 (E_RNA)
where:
Base-Base interactions energy: -236.150
where: short stacking energy: -117.827
Base-Backbone interact. energy: -0.242
local terms energy: -117.510571
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: -32.366
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -335.947866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.947866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.158945 (E_RNA)
where:
Base-Base interactions energy: -224.341
where: short stacking energy: -111.486
Base-Backbone interact. energy: -0.078
local terms energy: -113.739972
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -32.261
Dist. restrs. and SS energy: 2.211 (S_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: -314.028673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.028673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.766076 (E_RNA)
where:
Base-Base interactions energy: -210.844
where: short stacking energy: -93.490
Base-Backbone interact. energy: 0.241
local terms energy: -104.163131
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -309.248476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.248476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.559806 (E_RNA)
where:
Base-Base interactions energy: -201.293
where: short stacking energy: -91.735
Base-Backbone interact. energy: -0.125
local terms energy: -108.142442
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -24.761
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -251.585943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.585943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.587848 (E_RNA)
where:
Base-Base interactions energy: -158.546
where: short stacking energy: -75.629
Base-Backbone interact. energy: -0.270
local terms energy: -92.771553
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. 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: -274.760523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.760523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.809266 (E_RNA)
where:
Base-Base interactions energy: -183.899
where: short stacking energy: -76.045
Base-Backbone interact. energy: -0.204
local terms energy: -90.706030
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -276.569674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.569674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.731352 (E_RNA)
where:
Base-Base interactions energy: -177.075
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.022
local terms energy: -99.635065
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -233.609019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.609019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.946763 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.590
local terms energy: -86.756547
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.338 (S_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: 232
Temperature: 1.300000
Total energy: -245.783615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.783615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.092264 (E_RNA)
where:
Base-Base interactions energy: -152.943
where: short stacking energy: -75.211
Base-Backbone interact. energy: 0.442
local terms energy: -93.591455
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -214.096732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.153332 (E_RNA)
where:
Base-Base interactions energy: -141.046
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.432
local terms energy: -72.674922
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.057 (S_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: 233
Temperature: 0.900000
Total energy: -346.407316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.407316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.429451 (E_RNA)
where:
Base-Base interactions energy: -221.222
where: short stacking energy: -103.917
Base-Backbone interact. energy: 0.223
local terms energy: -125.430657
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -26.815
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -30.820
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -334.817313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.817313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.987754 (E_RNA)
where:
Base-Base interactions energy: -218.158
where: short stacking energy: -103.470
Base-Backbone interact. energy: -0.074
local terms energy: -118.756100
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 2.170 (S_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: 233
Temperature: 1.000000
Total energy: -317.733404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.733404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.886207 (E_RNA)
where:
Base-Base interactions energy: -215.668
where: short stacking energy: -92.031
Base-Backbone interact. energy: -0.107
local terms energy: -102.111441
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.153 (S_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: 233
Temperature: 1.050000
Total energy: -314.712149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.712149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.775291 (E_RNA)
where:
Base-Base interactions energy: -215.300
where: short stacking energy: -95.674
Base-Backbone interact. energy: -0.031
local terms energy: -99.444212
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. 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: -262.217037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.217037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.230542 (E_RNA)
where:
Base-Base interactions energy: -174.125
where: short stacking energy: -82.859
Base-Backbone interact. energy: -0.649
local terms energy: -87.456346
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -266.008441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.008441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.072605 (E_RNA)
where:
Base-Base interactions energy: -162.802
where: short stacking energy: -88.577
Base-Backbone interact. energy: -0.140
local terms energy: -103.129939
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.887
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -256.938141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.938141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.951023 (E_RNA)
where:
Base-Base interactions energy: -166.283
where: short stacking energy: -63.464
Base-Backbone interact. energy: -0.422
local terms energy: -90.245841
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.013 (S_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: 233
Temperature: 1.250000
Total energy: -230.297151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.297151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.441827 (E_RNA)
where:
Base-Base interactions energy: -136.826
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.671
local terms energy: -92.945232
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -232.113073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.113073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.132257 (E_RNA)
where:
Base-Base interactions energy: -151.948
where: short stacking energy: -73.600
Base-Backbone interact. energy: -0.649
local terms energy: -79.535705
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -245.486158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.486158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.542375 (E_RNA)
where:
Base-Base interactions energy: -161.392
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.267
local terms energy: -83.884067
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.056 (S_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: 234
Temperature: 0.900000
Total energy: -339.007211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.007211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.120747 (E_RNA)
where:
Base-Base interactions energy: -231.828
where: short stacking energy: -111.269
Base-Backbone interact. energy: 0.481
local terms energy: -107.773627
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -30.209
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -319.977645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.977645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.171886 (E_RNA)
where:
Base-Base interactions energy: -204.376
where: short stacking energy: -97.517
Base-Backbone interact. energy: -0.048
local terms energy: -117.747920
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -32.435
Dist. restrs. and SS energy: 2.194 (S_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: 234
Temperature: 1.000000
Total energy: -318.996253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.996253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.002487 (E_RNA)
where:
Base-Base interactions energy: -220.473
where: short stacking energy: -100.804
Base-Backbone interact. energy: 0.160
local terms energy: -98.689720
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.006 (S_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: 234
Temperature: 1.050000
Total energy: -316.214148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.214148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.214148 (E_RNA)
where:
Base-Base interactions energy: -203.648
where: short stacking energy: -94.705
Base-Backbone interact. energy: -0.084
local terms energy: -112.482198
where:
bonds (distance) C4'-P energy: -23.412
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -26.540
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: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -287.708807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.708807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.714712 (E_RNA)
where:
Base-Base interactions energy: -187.352
where: short stacking energy: -92.998
Base-Backbone interact. energy: -0.316
local terms energy: -100.047298
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.006 (S_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: -249.267100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.267100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.303946 (E_RNA)
where:
Base-Base interactions energy: -157.454
where: short stacking energy: -79.523
Base-Backbone interact. energy: -0.283
local terms energy: -91.566688
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.037 (S_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: 234
Temperature: 1.200000
Total energy: -238.595412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.595412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.784940 (E_RNA)
where:
Base-Base interactions energy: -148.180
where: short stacking energy: -73.807
Base-Backbone interact. energy: -1.109
local terms energy: -89.495184
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -242.195414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.195414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.251383 (E_RNA)
where:
Base-Base interactions energy: -154.968
where: short stacking energy: -71.590
Base-Backbone interact. energy: -1.525
local terms energy: -85.758225
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.056 (S_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: 234
Temperature: 1.300000
Total energy: -247.834318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.834318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.834318 (E_RNA)
where:
Base-Base interactions energy: -149.859
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.100
local terms energy: -97.875808
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -203.947191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.947191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.964027 (E_RNA)
where:
Base-Base interactions energy: -124.699
where: short stacking energy: -52.149
Base-Backbone interact. energy: -1.144
local terms energy: -78.120641
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.017 (S_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: 235
Temperature: 0.900000
Total energy: -341.255259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.255259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.303870 (E_RNA)
where:
Base-Base interactions energy: -230.977
where: short stacking energy: -107.750
Base-Backbone interact. energy: 0.521
local terms energy: -110.847915
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.049 (S_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: 235
Temperature: 0.950000
Total energy: -328.901310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.901310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.095994 (E_RNA)
where:
Base-Base interactions energy: -225.386
where: short stacking energy: -98.690
Base-Backbone interact. energy: -0.646
local terms energy: -103.064237
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -24.468
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -319.016879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.016879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.022649 (E_RNA)
where:
Base-Base interactions energy: -209.773
where: short stacking energy: -102.201
Base-Backbone interact. energy: -0.402
local terms energy: -108.847808
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.006 (S_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: 235
Temperature: 1.050000
Total energy: -309.600234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.600234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.672441 (E_RNA)
where:
Base-Base interactions energy: -208.197
where: short stacking energy: -87.792
Base-Backbone interact. energy: -0.080
local terms energy: -101.395135
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.072 (S_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: 235
Temperature: 1.100000
Total energy: -276.091257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.091257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.091257 (E_RNA)
where:
Base-Base interactions energy: -170.454
where: short stacking energy: -91.682
Base-Backbone interact. energy: -0.003
local terms energy: -105.635072
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -27.294
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -252.964781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.964781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.080959 (E_RNA)
where:
Base-Base interactions energy: -160.975
where: short stacking energy: -80.185
Base-Backbone interact. energy: -0.443
local terms energy: -91.662820
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.116 (S_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: 235
Temperature: 1.200000
Total energy: -240.657723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.657723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.700809 (E_RNA)
where:
Base-Base interactions energy: -148.317
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.737
local terms energy: -91.646822
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.043 (S_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: 235
Temperature: 1.250000
Total energy: -222.967160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.967160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.080191 (E_RNA)
where:
Base-Base interactions energy: -132.221
where: short stacking energy: -60.513
Base-Backbone interact. energy: 1.213
local terms energy: -92.072282
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -228.676823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.676823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.083346 (E_RNA)
where:
Base-Base interactions energy: -142.572
where: short stacking energy: -69.275
Base-Backbone interact. energy: -0.065
local terms energy: -86.446211
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -219.126759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126759 (E_RNA)
where:
Base-Base interactions energy: -136.290
where: short stacking energy: -59.656
Base-Backbone interact. energy: 1.798
local terms energy: -84.634588
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -23.543
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -341.513415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.513415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.660179 (E_RNA)
where:
Base-Base interactions energy: -220.952
where: short stacking energy: -104.022
Base-Backbone interact. energy: -0.071
local terms energy: -120.637202
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -35.920
Dist. restrs. and SS energy: 0.147 (S_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: 236
Temperature: 0.950000
Total energy: -330.597577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.597577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.811291 (E_RNA)
where:
Base-Base interactions energy: -222.687
where: short stacking energy: -106.770
Base-Backbone interact. energy: -0.082
local terms energy: -108.042987
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -30.988
Dist. restrs. and SS energy: 0.214 (S_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: 236
Temperature: 1.000000
Total energy: -314.875340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.875340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.914087 (E_RNA)
where:
Base-Base interactions energy: -208.985
where: short stacking energy: -88.550
Base-Backbone interact. energy: -0.971
local terms energy: -104.958172
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.039 (S_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: 236
Temperature: 1.050000
Total energy: -304.493291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.493291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.493291 (E_RNA)
where:
Base-Base interactions energy: -201.199
where: short stacking energy: -86.092
Base-Backbone interact. energy: -0.094
local terms energy: -103.200099
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -27.397
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -278.514863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.514863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.753476 (E_RNA)
where:
Base-Base interactions energy: -189.550
where: short stacking energy: -94.253
Base-Backbone interact. energy: -0.412
local terms energy: -88.791424
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -257.796959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.796959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.996692 (E_RNA)
where:
Base-Base interactions energy: -156.790
where: short stacking energy: -84.512
Base-Backbone interact. energy: -0.027
local terms energy: -101.179610
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.200 (S_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: 236
Temperature: 1.200000
Total energy: -238.763262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.763262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.896906 (E_RNA)
where:
Base-Base interactions energy: -160.411
where: short stacking energy: -65.771
Base-Backbone interact. energy: 1.024
local terms energy: -79.510504
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.134 (S_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: 236
Temperature: 1.250000
Total energy: -242.819095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.084357 (E_RNA)
where:
Base-Base interactions energy: -156.222
where: short stacking energy: -78.564
Base-Backbone interact. energy: -0.437
local terms energy: -86.425803
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -245.888611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.888611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.925138 (E_RNA)
where:
Base-Base interactions energy: -153.283
where: short stacking energy: -77.263
Base-Backbone interact. energy: -0.183
local terms energy: -92.458811
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -245.474192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.474192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.768795 (E_RNA)
where:
Base-Base interactions energy: -154.365
where: short stacking energy: -76.705
Base-Backbone interact. energy: 1.044
local terms energy: -92.447398
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.295 (S_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: 237
Temperature: 0.900000
Total energy: -348.871373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.871373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.940121 (E_RNA)
where:
Base-Base interactions energy: -226.844
where: short stacking energy: -111.371
Base-Backbone interact. energy: 1.052
local terms energy: -123.148105
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -34.452
Dist. restrs. and SS energy: 0.069 (S_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: 237
Temperature: 0.950000
Total energy: -332.753065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.753065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.870091 (E_RNA)
where:
Base-Base interactions energy: -216.036
where: short stacking energy: -98.426
Base-Backbone interact. energy: -0.099
local terms energy: -116.735482
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.117 (S_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: 237
Temperature: 1.000000
Total energy: -321.044808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.044808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.186141 (E_RNA)
where:
Base-Base interactions energy: -223.711
where: short stacking energy: -90.022
Base-Backbone interact. energy: -0.245
local terms energy: -97.229650
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.141 (S_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: 237
Temperature: 1.050000
Total energy: -299.467509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.467509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.812023 (E_RNA)
where:
Base-Base interactions energy: -207.315
where: short stacking energy: -96.594
Base-Backbone interact. energy: -0.018
local terms energy: -93.478875
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -285.902240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.902240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.022835 (E_RNA)
where:
Base-Base interactions energy: -189.973
where: short stacking energy: -73.903
Base-Backbone interact. energy: -0.294
local terms energy: -95.755433
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -259.072285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.072285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.433287 (E_RNA)
where:
Base-Base interactions energy: -166.913
where: short stacking energy: -77.894
Base-Backbone interact. energy: -0.672
local terms energy: -91.848507
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.361 (S_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: -232.364186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.364186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.448602 (E_RNA)
where:
Base-Base interactions energy: -146.976
where: short stacking energy: -72.326
Base-Backbone interact. energy: -1.339
local terms energy: -84.133564
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -245.353674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.353674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.298129 (E_RNA)
where:
Base-Base interactions energy: -164.358
where: short stacking energy: -75.011
Base-Backbone interact. energy: -0.398
local terms energy: -81.541638
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.944 (S_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: 237
Temperature: 1.300000
Total energy: -229.308407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.308407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.333365 (E_RNA)
where:
Base-Base interactions energy: -136.477
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.457
local terms energy: -92.399049
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -223.909303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.929018 (E_RNA)
where:
Base-Base interactions energy: -139.760
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.637
local terms energy: -83.531827
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.020 (S_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: 238
Temperature: 0.900000
Total energy: -345.171169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.171169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.316015 (E_RNA)
where:
Base-Base interactions energy: -229.986
where: short stacking energy: -103.090
Base-Backbone interact. energy: -0.070
local terms energy: -115.259755
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -26.140
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -338.487473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.487473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.491687 (E_RNA)
where:
Base-Base interactions energy: -225.947
where: short stacking energy: -107.159
Base-Backbone interact. energy: -0.174
local terms energy: -112.370717
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -32.476
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -306.946411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.946411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.091174 (E_RNA)
where:
Base-Base interactions energy: -202.522
where: short stacking energy: -91.534
Base-Backbone interact. energy: 0.377
local terms energy: -105.946114
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -30.873
Dist. restrs. and SS energy: 1.145 (S_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: 238
Temperature: 1.050000
Total energy: -307.105099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.105099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.121540 (E_RNA)
where:
Base-Base interactions energy: -215.905
where: short stacking energy: -101.248
Base-Backbone interact. energy: 0.352
local terms energy: -91.569081
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. 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: -265.094429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.094429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.149985 (E_RNA)
where:
Base-Base interactions energy: -167.306
where: short stacking energy: -79.177
Base-Backbone interact. energy: -0.994
local terms energy: -96.849974
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.056 (S_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: 238
Temperature: 1.150000
Total energy: -305.598555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.598555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.626929 (E_RNA)
where:
Base-Base interactions energy: -199.346
where: short stacking energy: -95.580
Base-Backbone interact. energy: -0.032
local terms energy: -106.249899
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -28.896
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -244.377043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.432085 (E_RNA)
where:
Base-Base interactions energy: -146.689
where: short stacking energy: -66.628
Base-Backbone interact. energy: -1.240
local terms energy: -96.502793
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.055 (S_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: -231.316910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.316910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.447390 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.842
local terms energy: -94.883348
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -240.500629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.500629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.557894 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -81.320
Base-Backbone interact. energy: -0.197
local terms energy: -90.546304
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -222.973255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.973255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.973255 (E_RNA)
where:
Base-Base interactions energy: -147.338
where: short stacking energy: -58.114
Base-Backbone interact. energy: 2.082
local terms energy: -77.716835
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -14.123
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -338.388671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.388671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.403983 (E_RNA)
where:
Base-Base interactions energy: -220.277
where: short stacking energy: -108.532
Base-Backbone interact. energy: 1.056
local terms energy: -119.182756
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -32.328
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -343.419089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.419089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.419089 (E_RNA)
where:
Base-Base interactions energy: -228.493
where: short stacking energy: -103.703
Base-Backbone interact. energy: -0.096
local terms energy: -114.830571
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -29.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -322.372358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.372358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.658998 (E_RNA)
where:
Base-Base interactions energy: -216.643
where: short stacking energy: -99.826
Base-Backbone interact. energy: -0.063
local terms energy: -107.952610
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -28.597
Dist. restrs. and SS energy: 2.287 (S_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: 239
Temperature: 1.050000
Total energy: -321.254234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.254234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.288539 (E_RNA)
where:
Base-Base interactions energy: -218.590
where: short stacking energy: -102.526
Base-Backbone interact. energy: -0.110
local terms energy: -102.589139
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. 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: -271.824921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.824921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.843844 (E_RNA)
where:
Base-Base interactions energy: -164.143
where: short stacking energy: -86.207
Base-Backbone interact. energy: -0.093
local terms energy: -107.608108
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -265.993659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.993659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.018131 (E_RNA)
where:
Base-Base interactions energy: -168.240
where: short stacking energy: -84.655
Base-Backbone interact. energy: -1.437
local terms energy: -96.340986
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.024 (S_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: 239
Temperature: 1.200000
Total energy: -295.400006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.400006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.274368 (E_RNA)
where:
Base-Base interactions energy: -192.462
where: short stacking energy: -83.043
Base-Backbone interact. energy: -0.193
local terms energy: -103.619623
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -239.653556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.653556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.082461 (E_RNA)
where:
Base-Base interactions energy: -147.623
where: short stacking energy: -81.135
Base-Backbone interact. energy: -0.142
local terms energy: -92.316935
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -232.971693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.971693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.979628 (E_RNA)
where:
Base-Base interactions energy: -149.335
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.946
local terms energy: -82.699314
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -226.738841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.913926 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -61.380
Base-Backbone interact. energy: 0.138
local terms energy: -91.473153
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.175 (S_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: 240
Temperature: 0.900000
Total energy: -330.935426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.935426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.264126 (E_RNA)
where:
Base-Base interactions energy: -217.351
where: short stacking energy: -103.366
Base-Backbone interact. energy: -0.071
local terms energy: -113.842488
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -29.079
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -332.402513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.402513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.402513 (E_RNA)
where:
Base-Base interactions energy: -220.255
where: short stacking energy: -109.064
Base-Backbone interact. energy: -0.239
local terms energy: -111.907639
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -34.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -317.349874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.349874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.833182 (E_RNA)
where:
Base-Base interactions energy: -215.009
where: short stacking energy: -108.865
Base-Backbone interact. energy: 0.466
local terms energy: -103.290532
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.483 (S_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: 240
Temperature: 1.050000
Total energy: -309.788055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.788055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.792436 (E_RNA)
where:
Base-Base interactions energy: -206.660
where: short stacking energy: -95.623
Base-Backbone interact. energy: -0.424
local terms energy: -104.707874
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -27.128
Dist. restrs. and SS energy: 2.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -261.950391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.950391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.950391 (E_RNA)
where:
Base-Base interactions energy: -154.046
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.295
local terms energy: -107.610130
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -269.358056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.358056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.457741 (E_RNA)
where:
Base-Base interactions energy: -173.946
where: short stacking energy: -92.001
Base-Backbone interact. energy: -0.263
local terms energy: -95.248548
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.100 (S_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: 240
Temperature: 1.200000
Total energy: -281.038249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.038249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.044778 (E_RNA)
where:
Base-Base interactions energy: -188.677
where: short stacking energy: -97.154
Base-Backbone interact. energy: -0.098
local terms energy: -92.269817
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -26.491
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -248.742276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.742276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.878466 (E_RNA)
where:
Base-Base interactions energy: -172.364
where: short stacking energy: -83.085
Base-Backbone interact. energy: 0.477
local terms energy: -76.991512
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.136 (S_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: 240
Temperature: 1.300000
Total energy: -230.928381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.928381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.257744 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.194
local terms energy: -77.336095
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -235.792690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.792690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.852468 (E_RNA)
where:
Base-Base interactions energy: -145.131
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.331
local terms energy: -90.389846
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.060 (S_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: 241
Temperature: 0.900000
Total energy: -345.330422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.330422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.406056 (E_RNA)
where:
Base-Base interactions energy: -229.222
where: short stacking energy: -103.728
Base-Backbone interact. energy: -0.005
local terms energy: -116.178995
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -31.770
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -339.279490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.279490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.286524 (E_RNA)
where:
Base-Base interactions energy: -219.141
where: short stacking energy: -111.668
Base-Backbone interact. energy: -0.004
local terms energy: -120.141992
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -33.765
Dist. restrs. and SS energy: 0.007 (S_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: 241
Temperature: 1.000000
Total energy: -329.583548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.583548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.715830 (E_RNA)
where:
Base-Base interactions energy: -221.547
where: short stacking energy: -107.071
Base-Backbone interact. energy: -0.107
local terms energy: -108.061297
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 0.132 (S_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: 241
Temperature: 1.050000
Total energy: -294.322317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.322317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.808268 (E_RNA)
where:
Base-Base interactions energy: -197.999
where: short stacking energy: -85.968
Base-Backbone interact. energy: -0.236
local terms energy: -97.573152
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -293.201995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.201995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.331870 (E_RNA)
where:
Base-Base interactions energy: -190.270
where: short stacking energy: -92.974
Base-Backbone interact. energy: -0.007
local terms energy: -103.054654
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -262.663762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.663762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.727600 (E_RNA)
where:
Base-Base interactions energy: -163.952
where: short stacking energy: -82.140
Base-Backbone interact. energy: -0.188
local terms energy: -98.587136
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.064 (S_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: -273.124440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.124440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.149663 (E_RNA)
where:
Base-Base interactions energy: -179.270
where: short stacking energy: -78.488
Base-Backbone interact. energy: -0.201
local terms energy: -93.678688
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.025 (S_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: 241
Temperature: 1.250000
Total energy: -242.525566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.525566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.910496 (E_RNA)
where:
Base-Base interactions energy: -153.748
where: short stacking energy: -75.439
Base-Backbone interact. energy: -0.223
local terms energy: -88.939457
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -246.527513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.527513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.527513 (E_RNA)
where:
Base-Base interactions energy: -156.140
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.153
local terms energy: -90.234131
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -14.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -239.319020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.335317 (E_RNA)
where:
Base-Base interactions energy: -142.551
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.470
local terms energy: -96.313563
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.016 (S_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: 242
Temperature: 0.900000
Total energy: -342.827675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.827675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.827675 (E_RNA)
where:
Base-Base interactions energy: -222.288
where: short stacking energy: -111.821
Base-Backbone interact. energy: -0.379
local terms energy: -120.160829
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -33.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -326.607775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.607775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.764782 (E_RNA)
where:
Base-Base interactions energy: -214.184
where: short stacking energy: -106.928
Base-Backbone interact. energy: -0.002
local terms energy: -112.578741
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -31.997
Dist. restrs. and SS energy: 0.157 (S_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: 242
Temperature: 1.000000
Total energy: -332.707153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.707153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.777552 (E_RNA)
where:
Base-Base interactions energy: -218.948
where: short stacking energy: -102.730
Base-Backbone interact. energy: -0.097
local terms energy: -113.733381
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -28.275
Dist. restrs. and SS energy: 0.070 (S_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: 242
Temperature: 1.050000
Total energy: -315.183943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.183943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.807529 (E_RNA)
where:
Base-Base interactions energy: -203.199
where: short stacking energy: -99.711
Base-Backbone interact. energy: -0.077
local terms energy: -113.531512
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -28.921
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -292.299657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.299657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.868828 (E_RNA)
where:
Base-Base interactions energy: -192.656
where: short stacking energy: -83.638
Base-Backbone interact. energy: -0.515
local terms energy: -99.697742
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. 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: -254.257492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.257492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.318819 (E_RNA)
where:
Base-Base interactions energy: -154.566
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.132
local terms energy: -99.621244
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.061 (S_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: 242
Temperature: 1.200000
Total energy: -246.371922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.371922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.526363 (E_RNA)
where:
Base-Base interactions energy: -153.577
where: short stacking energy: -81.336
Base-Backbone interact. energy: 0.015
local terms energy: -92.964562
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -27.177
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. 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: -239.123111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.123111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.180260 (E_RNA)
where:
Base-Base interactions energy: -152.731
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.316
local terms energy: -86.132790
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -233.999297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.999297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.076556 (E_RNA)
where:
Base-Base interactions energy: -149.908
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.279
local terms energy: -83.890338
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -222.884953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.884953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.030512 (E_RNA)
where:
Base-Base interactions energy: -141.245
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.320
local terms energy: -81.465434
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.146 (S_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: 243
Temperature: 0.900000
Total energy: -339.638156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.638156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.661128 (E_RNA)
where:
Base-Base interactions energy: -218.783
where: short stacking energy: -110.569
Base-Backbone interact. energy: -0.386
local terms energy: -120.491849
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.023 (S_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: 243
Temperature: 0.950000
Total energy: -328.399836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.399836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.423423 (E_RNA)
where:
Base-Base interactions energy: -224.457
where: short stacking energy: -103.516
Base-Backbone interact. energy: -0.026
local terms energy: -103.939889
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -28.671
Dist. restrs. and SS energy: 0.024 (S_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: 243
Temperature: 1.000000
Total energy: -318.022810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.022810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.323993 (E_RNA)
where:
Base-Base interactions energy: -222.774
where: short stacking energy: -110.909
Base-Backbone interact. energy: -0.060
local terms energy: -96.489892
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 1.301 (S_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: 243
Temperature: 1.050000
Total energy: -310.950385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.950385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.023472 (E_RNA)
where:
Base-Base interactions energy: -201.737
where: short stacking energy: -103.266
Base-Backbone interact. energy: 0.025
local terms energy: -109.311222
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. 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: -292.138955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.138955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.163089 (E_RNA)
where:
Base-Base interactions energy: -195.732
where: short stacking energy: -87.828
Base-Backbone interact. energy: 0.372
local terms energy: -96.802771
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -257.046824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.046824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.156679 (E_RNA)
where:
Base-Base interactions energy: -159.884
where: short stacking energy: -83.033
Base-Backbone interact. energy: -0.018
local terms energy: -97.254311
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.110 (S_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: 243
Temperature: 1.200000
Total energy: -287.462576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.462576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.687530 (E_RNA)
where:
Base-Base interactions energy: -191.232
where: short stacking energy: -83.157
Base-Backbone interact. energy: -0.195
local terms energy: -96.260134
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. 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: -239.504753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.504753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.532395 (E_RNA)
where:
Base-Base interactions energy: -152.903
where: short stacking energy: -77.747
Base-Backbone interact. energy: -0.074
local terms energy: -86.555376
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -233.555951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.555951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.563572 (E_RNA)
where:
Base-Base interactions energy: -140.617
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.094
local terms energy: -92.852329
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -218.212159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.212159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.212159 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -68.658
Base-Backbone interact. energy: 0.327
local terms energy: -85.445741
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -338.129302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.129302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.166052 (E_RNA)
where:
Base-Base interactions energy: -221.009
where: short stacking energy: -102.539
Base-Backbone interact. energy: -0.655
local terms energy: -116.502107
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -28.935
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -340.415304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.415304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.612009 (E_RNA)
where:
Base-Base interactions energy: -228.290
where: short stacking energy: -109.235
Base-Backbone interact. energy: -0.176
local terms energy: -112.146312
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -29.413
Dist. restrs. and SS energy: 0.197 (S_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: 244
Temperature: 1.000000
Total energy: -317.966512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.966512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.124913 (E_RNA)
where:
Base-Base interactions energy: -211.711
where: short stacking energy: -101.135
Base-Backbone interact. energy: -0.102
local terms energy: -108.312026
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -31.498
Dist. restrs. and SS energy: 2.158 (S_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: 244
Temperature: 1.050000
Total energy: -315.138381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.138381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.157186 (E_RNA)
where:
Base-Base interactions energy: -212.159
where: short stacking energy: -97.715
Base-Backbone interact. energy: -0.528
local terms energy: -102.470222
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -27.048
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -299.640129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.640129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.086237 (E_RNA)
where:
Base-Base interactions energy: -209.712
where: short stacking energy: -98.980
Base-Backbone interact. energy: -0.347
local terms energy: -90.026680
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: 0.446 (S_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: 244
Temperature: 1.150000
Total energy: -258.194473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.194473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.206055 (E_RNA)
where:
Base-Base interactions energy: -166.313
where: short stacking energy: -88.297
Base-Backbone interact. energy: -0.274
local terms energy: -91.619214
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.012 (S_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: 244
Temperature: 1.200000
Total energy: -262.131691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.131691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.186510 (E_RNA)
where:
Base-Base interactions energy: -168.227
where: short stacking energy: -82.275
Base-Backbone interact. energy: -0.332
local terms energy: -93.626721
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. 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: -252.694189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.694189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.762554 (E_RNA)
where:
Base-Base interactions energy: -158.009
where: short stacking energy: -78.815
Base-Backbone interact. energy: -0.634
local terms energy: -94.119840
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -235.655737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.655737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.657475 (E_RNA)
where:
Base-Base interactions energy: -157.999
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.702
local terms energy: -76.955832
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -219.685118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.685118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.058272 (E_RNA)
where:
Base-Base interactions energy: -138.649
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.503
local terms energy: -80.906376
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.373 (S_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: 245
Temperature: 0.900000
Total energy: -339.086650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.086650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.136473 (E_RNA)
where:
Base-Base interactions energy: -221.074
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.665
local terms energy: -117.397559
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -30.404
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. 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: -336.684507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.684507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.791214 (E_RNA)
where:
Base-Base interactions energy: -220.076
where: short stacking energy: -103.589
Base-Backbone interact. energy: -0.002
local terms energy: -116.713559
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -32.424
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. 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: -327.187316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.187316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.220716 (E_RNA)
where:
Base-Base interactions energy: -218.047
where: short stacking energy: -100.054
Base-Backbone interact. energy: -0.083
local terms energy: -109.091024
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -28.394
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -300.306930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.306930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.556772 (E_RNA)
where:
Base-Base interactions energy: -205.608
where: short stacking energy: -91.572
Base-Backbone interact. energy: -0.358
local terms energy: -95.590563
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 1.250 (S_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: 245
Temperature: 1.100000
Total energy: -303.663512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.663512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.701431 (E_RNA)
where:
Base-Base interactions energy: -203.132
where: short stacking energy: -88.562
Base-Backbone interact. energy: -0.116
local terms energy: -100.453858
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.038 (S_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: 245
Temperature: 1.150000
Total energy: -244.732411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.732411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.812795 (E_RNA)
where:
Base-Base interactions energy: -151.187
where: short stacking energy: -79.051
Base-Backbone interact. energy: -0.287
local terms energy: -93.338109
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.080 (S_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: 245
Temperature: 1.200000
Total energy: -250.497642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.497642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.800668 (E_RNA)
where:
Base-Base interactions energy: -154.623
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.276
local terms energy: -95.901288
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. 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: -246.583778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.583778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.709091 (E_RNA)
where:
Base-Base interactions energy: -153.173
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.277
local terms energy: -93.259498
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -228.835629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.835629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.859708 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -73.949
Base-Backbone interact. energy: 0.188
local terms energy: -71.885819
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -224.064911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.064911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.282328 (E_RNA)
where:
Base-Base interactions energy: -146.346
where: short stacking energy: -63.921
Base-Backbone interact. energy: 0.196
local terms energy: -78.132442
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. 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: -336.724817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.724817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.724817 (E_RNA)
where:
Base-Base interactions energy: -231.969
where: short stacking energy: -108.686
Base-Backbone interact. energy: -0.160
local terms energy: -104.595109
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -27.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -331.797246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.797246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.021468 (E_RNA)
where:
Base-Base interactions energy: -214.898
where: short stacking energy: -102.738
Base-Backbone interact. energy: -0.147
local terms energy: -116.976158
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -34.066
Dist. restrs. and SS energy: 0.224 (S_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: 246
Temperature: 1.000000
Total energy: -322.218961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.218961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.354614 (E_RNA)
where:
Base-Base interactions energy: -211.000
where: short stacking energy: -98.690
Base-Backbone interact. energy: -0.002
local terms energy: -111.353355
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -29.623
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. 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: -327.272316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.272316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.272316 (E_RNA)
where:
Base-Base interactions energy: -215.146
where: short stacking energy: -107.292
Base-Backbone interact. energy: -0.712
local terms energy: -111.414549
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -34.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -293.513635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.513635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.757558 (E_RNA)
where:
Base-Base interactions energy: -189.483
where: short stacking energy: -88.874
Base-Backbone interact. energy: -0.102
local terms energy: -105.173121
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 1.244 (S_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: 246
Temperature: 1.150000
Total energy: -255.819727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.819727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.873342 (E_RNA)
where:
Base-Base interactions energy: -161.411
where: short stacking energy: -79.238
Base-Backbone interact. energy: -0.289
local terms energy: -94.173269
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.054 (S_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: 246
Temperature: 1.200000
Total energy: -242.959794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.959794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.059956 (E_RNA)
where:
Base-Base interactions energy: -161.278
where: short stacking energy: -67.899
Base-Backbone interact. energy: 0.732
local terms energy: -82.514018
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.100 (S_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: 246
Temperature: 1.250000
Total energy: -234.360245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.360245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.423581 (E_RNA)
where:
Base-Base interactions energy: -145.285
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.768
local terms energy: -88.369769
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -239.099245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.099245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.142039 (E_RNA)
where:
Base-Base interactions energy: -148.340
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.074
local terms energy: -90.728609
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -214.544343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.635603 (E_RNA)
where:
Base-Base interactions energy: -137.426
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.829
local terms energy: -76.380177
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. 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: -341.381556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.381556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.400003 (E_RNA)
where:
Base-Base interactions energy: -231.452
where: short stacking energy: -95.827
Base-Backbone interact. energy: -0.118
local terms energy: -109.830417
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -25.445
Dist. restrs. and SS energy: 0.018 (S_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: 247
Temperature: 0.950000
Total energy: -332.431635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.431635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.468019 (E_RNA)
where:
Base-Base interactions energy: -226.730
where: short stacking energy: -100.638
Base-Backbone interact. energy: -0.205
local terms energy: -105.532327
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -25.847
Dist. restrs. and SS energy: 0.036 (S_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: 247
Temperature: 1.000000
Total energy: -319.665737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.665737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.317031 (E_RNA)
where:
Base-Base interactions energy: -208.355
where: short stacking energy: -99.006
Base-Backbone interact. energy: -0.146
local terms energy: -111.816191
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -28.307
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -318.434910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.434910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.470507 (E_RNA)
where:
Base-Base interactions energy: -209.193
where: short stacking energy: -105.625
Base-Backbone interact. energy: -0.013
local terms energy: -109.264322
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.036 (S_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: 247
Temperature: 1.100000
Total energy: -297.750367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.750367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.189459 (E_RNA)
where:
Base-Base interactions energy: -202.077
where: short stacking energy: -93.942
Base-Backbone interact. energy: -0.097
local terms energy: -97.015443
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 1.439 (S_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: 247
Temperature: 1.150000
Total energy: -248.519207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.519207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.655875 (E_RNA)
where:
Base-Base interactions energy: -148.470
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.210
local terms energy: -99.975799
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.137 (S_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: 247
Temperature: 1.200000
Total energy: -249.276043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.276043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.276773 (E_RNA)
where:
Base-Base interactions energy: -154.552
where: short stacking energy: -82.429
Base-Backbone interact. energy: -0.221
local terms energy: -94.503495
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -240.558538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.558538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.720836 (E_RNA)
where:
Base-Base interactions energy: -152.816
where: short stacking energy: -77.330
Base-Backbone interact. energy: -1.086
local terms energy: -86.818508
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.162 (S_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: 247
Temperature: 1.300000
Total energy: -214.087052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.087052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.141762 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -56.448
Base-Backbone interact. energy: -0.428
local terms energy: -82.387442
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -221.553254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.553254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.003263 (E_RNA)
where:
Base-Base interactions energy: -133.893
where: short stacking energy: -70.314
Base-Backbone interact. energy: 0.201
local terms energy: -88.311507
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -341.946981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.946981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.946981 (E_RNA)
where:
Base-Base interactions energy: -236.088
where: short stacking energy: -106.203
Base-Backbone interact. energy: -0.242
local terms energy: -105.617605
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -25.900
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -15.662
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: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -327.092201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.092201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.190464 (E_RNA)
where:
Base-Base interactions energy: -219.453
where: short stacking energy: -107.316
Base-Backbone interact. energy: -0.031
local terms energy: -107.706856
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -31.400
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -304.247481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.247481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.247481 (E_RNA)
where:
Base-Base interactions energy: -191.324
where: short stacking energy: -94.605
Base-Backbone interact. energy: 0.788
local terms energy: -113.711729
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -30.865
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: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -315.582047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.582047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.732571 (E_RNA)
where:
Base-Base interactions energy: -200.025
where: short stacking energy: -103.086
Base-Backbone interact. energy: -1.312
local terms energy: -114.395174
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -29.506
Dist. restrs. and SS energy: 0.151 (S_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: 248
Temperature: 1.100000
Total energy: -309.430631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.430631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.201590 (E_RNA)
where:
Base-Base interactions energy: -211.175
where: short stacking energy: -88.640
Base-Backbone interact. energy: -0.058
local terms energy: -98.967699
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.771 (S_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: 248
Temperature: 1.150000
Total energy: -254.199687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.199687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.259010 (E_RNA)
where:
Base-Base interactions energy: -156.310
where: short stacking energy: -77.128
Base-Backbone interact. energy: -0.384
local terms energy: -97.564927
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.059 (S_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: 248
Temperature: 1.200000
Total energy: -252.326904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.326904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.450539 (E_RNA)
where:
Base-Base interactions energy: -155.046
where: short stacking energy: -82.683
Base-Backbone interact. energy: -0.047
local terms energy: -97.357851
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -226.398469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.398469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.539014 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.064
local terms energy: -85.737435
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.141 (S_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: 248
Temperature: 1.300000
Total energy: -239.390618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.390618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.502397 (E_RNA)
where:
Base-Base interactions energy: -155.451
where: short stacking energy: -74.039
Base-Backbone interact. energy: -0.161
local terms energy: -83.889855
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -213.053027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.053027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.055651 (E_RNA)
where:
Base-Base interactions energy: -129.712
where: short stacking energy: -55.600
Base-Backbone interact. energy: -0.331
local terms energy: -83.012414
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -331.382233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.382233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.382233 (E_RNA)
where:
Base-Base interactions energy: -218.734
where: short stacking energy: -107.067
Base-Backbone interact. energy: -0.015
local terms energy: -112.632747
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -17.875
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: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -329.566737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.566737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.566737 (E_RNA)
where:
Base-Base interactions energy: -226.846
where: short stacking energy: -111.363
Base-Backbone interact. energy: -1.078
local terms energy: -101.642618
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -30.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -333.038990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.038990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.168899 (E_RNA)
where:
Base-Base interactions energy: -223.162
where: short stacking energy: -108.143
Base-Backbone interact. energy: -0.419
local terms energy: -111.587204
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -34.751
Dist. restrs. and SS energy: 2.130 (S_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: 249
Temperature: 1.050000
Total energy: -308.303044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.303044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.317991 (E_RNA)
where:
Base-Base interactions energy: -203.144
where: short stacking energy: -93.404
Base-Backbone interact. energy: -0.010
local terms energy: -105.163803
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.015 (S_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: 249
Temperature: 1.100000
Total energy: -301.523490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.523490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.523490 (E_RNA)
where:
Base-Base interactions energy: -205.153
where: short stacking energy: -91.600
Base-Backbone interact. energy: -0.360
local terms energy: -96.011164
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -25.235
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: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -251.679240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.679240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.806258 (E_RNA)
where:
Base-Base interactions energy: -165.330
where: short stacking energy: -74.757
Base-Backbone interact. energy: -0.151
local terms energy: -86.325227
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.127 (S_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: 249
Temperature: 1.200000
Total energy: -255.180173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.180173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.370604 (E_RNA)
where:
Base-Base interactions energy: -163.056
where: short stacking energy: -79.474
Base-Backbone interact. energy: -0.208
local terms energy: -92.106625
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.190 (S_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: 249
Temperature: 1.250000
Total energy: -234.356138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.356138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.356138 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.327
local terms energy: -88.285380
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -11.166
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: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -230.972797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.972797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.062038 (E_RNA)
where:
Base-Base interactions energy: -154.862
where: short stacking energy: -74.089
Base-Backbone interact. energy: -0.273
local terms energy: -75.927375
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -209.566767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.566767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.645208 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -69.614
Base-Backbone interact. energy: -1.200
local terms energy: -72.890983
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.078 (S_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: 250
Temperature: 0.900000
Total energy: -349.992747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.992747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.002989 (E_RNA)
where:
Base-Base interactions energy: -231.678
where: short stacking energy: -111.242
Base-Backbone interact. energy: -0.309
local terms energy: -118.016033
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -33.651
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. 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: -331.397444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.397444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.465163 (E_RNA)
where:
Base-Base interactions energy: -214.584
where: short stacking energy: -103.841
Base-Backbone interact. energy: -0.053
local terms energy: -118.827760
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -33.179
Dist. restrs. and SS energy: 2.068 (S_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: 250
Temperature: 1.000000
Total energy: -320.768810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.768810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.593752 (E_RNA)
where:
Base-Base interactions energy: -219.601
where: short stacking energy: -100.126
Base-Backbone interact. energy: -0.069
local terms energy: -102.924398
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 1.825 (S_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: 250
Temperature: 1.050000
Total energy: -313.847542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.847542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.872194 (E_RNA)
where:
Base-Base interactions energy: -199.560
where: short stacking energy: -98.806
Base-Backbone interact. energy: -0.638
local terms energy: -113.674737
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -29.918
Dist. restrs. and SS energy: 0.025 (S_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: 250
Temperature: 1.100000
Total energy: -299.192229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.192229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.031199 (E_RNA)
where:
Base-Base interactions energy: -203.711
where: short stacking energy: -91.364
Base-Backbone interact. energy: -0.369
local terms energy: -95.951156
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -26.937
Dist. restrs. and SS energy: 0.839 (S_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: 250
Temperature: 1.150000
Total energy: -254.341615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.341615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.641337 (E_RNA)
where:
Base-Base interactions energy: -165.310
where: short stacking energy: -82.103
Base-Backbone interact. energy: -0.023
local terms energy: -89.308748
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.300 (S_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: 250
Temperature: 1.200000
Total energy: -237.224956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.224956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.314959 (E_RNA)
where:
Base-Base interactions energy: -153.176
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.489
local terms energy: -83.649999
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.090 (S_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: 250
Temperature: 1.250000
Total energy: -236.032521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.032521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.185661 (E_RNA)
where:
Base-Base interactions energy: -149.953
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.287
local terms energy: -85.945118
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -214.774403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.774403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.787885 (E_RNA)
where:
Base-Base interactions energy: -141.779
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.714
local terms energy: -72.294648
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -228.644918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.644918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.661443 (E_RNA)
where:
Base-Base interactions energy: -137.748
where: short stacking energy: -69.171
Base-Backbone interact. energy: -0.157
local terms energy: -90.755667
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.017 (S_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: 251
Temperature: 0.900000
Total energy: -346.963264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.963264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.322407 (E_RNA)
where:
Base-Base interactions energy: -233.002
where: short stacking energy: -105.522
Base-Backbone interact. energy: -0.316
local terms energy: -114.003587
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -31.466
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. 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: -320.145664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.145664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.871485 (E_RNA)
where:
Base-Base interactions energy: -207.190
where: short stacking energy: -101.266
Base-Backbone interact. energy: -0.141
local terms energy: -113.540284
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -31.818
Dist. restrs. and SS energy: 0.726 (S_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: 251
Temperature: 1.000000
Total energy: -292.312937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.312937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.161450 (E_RNA)
where:
Base-Base interactions energy: -187.830
where: short stacking energy: -98.361
Base-Backbone interact. energy: -0.252
local terms energy: -105.079422
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.849 (S_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: 251
Temperature: 1.050000
Total energy: -317.668270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.668270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.711880 (E_RNA)
where:
Base-Base interactions energy: -210.479
where: short stacking energy: -101.478
Base-Backbone interact. energy: -0.001
local terms energy: -107.232383
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -33.877
Dist. restrs. and SS energy: 0.044 (S_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: 251
Temperature: 1.100000
Total energy: -319.243251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.243251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.280040 (E_RNA)
where:
Base-Base interactions energy: -223.003
where: short stacking energy: -102.447
Base-Backbone interact. energy: -0.092
local terms energy: -97.184997
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -25.538
Dist. restrs. and SS energy: 1.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -266.727141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.727141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.727141 (E_RNA)
where:
Base-Base interactions energy: -173.079
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.096
local terms energy: -93.552016
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -21.898
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: 251
Temperature: 1.200000
Total energy: -238.561401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.561401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.911965 (E_RNA)
where:
Base-Base interactions energy: -148.631
where: short stacking energy: -71.819
Base-Backbone interact. energy: -0.352
local terms energy: -89.929233
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.351 (S_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: 251
Temperature: 1.250000
Total energy: -235.348563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.348563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.388468 (E_RNA)
where:
Base-Base interactions energy: -158.473
where: short stacking energy: -72.726
Base-Backbone interact. energy: -0.408
local terms energy: -76.507033
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -223.145453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.145453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.205454 (E_RNA)
where:
Base-Base interactions energy: -144.638
where: short stacking energy: -76.231
Base-Backbone interact. energy: -0.234
local terms energy: -78.333901
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -210.377496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.396599 (E_RNA)
where:
Base-Base interactions energy: -124.457
where: short stacking energy: -51.736
Base-Backbone interact. energy: 0.705
local terms energy: -86.644588
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -330.081004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.081004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.143275 (E_RNA)
where:
Base-Base interactions energy: -222.925
where: short stacking energy: -106.022
Base-Backbone interact. energy: -0.489
local terms energy: -106.728829
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -28.138
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -350.166255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.166255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.276132 (E_RNA)
where:
Base-Base interactions energy: -234.391
where: short stacking energy: -108.775
Base-Backbone interact. energy: -0.116
local terms energy: -115.769599
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -35.072
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -320.978171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.978171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.019223 (E_RNA)
where:
Base-Base interactions energy: -208.954
where: short stacking energy: -102.948
Base-Backbone interact. energy: -0.075
local terms energy: -111.990707
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -27.286
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -298.597108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.597108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.001628 (E_RNA)
where:
Base-Base interactions energy: -198.199
where: short stacking energy: -97.823
Base-Backbone interact. energy: -0.092
local terms energy: -101.710862
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 1.405 (S_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: 252
Temperature: 1.100000
Total energy: -302.056361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.056361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.520446 (E_RNA)
where:
Base-Base interactions energy: -201.854
where: short stacking energy: -100.519
Base-Backbone interact. energy: -0.008
local terms energy: -101.658766
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -30.159
Dist. restrs. and SS energy: 1.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -276.407294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.407294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.407294 (E_RNA)
where:
Base-Base interactions energy: -171.711
where: short stacking energy: -87.230
Base-Backbone interact. energy: -0.130
local terms energy: -104.566493
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -235.383035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.383035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.415495 (E_RNA)
where:
Base-Base interactions energy: -149.882
where: short stacking energy: -75.058
Base-Backbone interact. energy: -0.163
local terms energy: -85.370384
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. 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: -224.682424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.682424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.794093 (E_RNA)
where:
Base-Base interactions energy: -138.821
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.082
local terms energy: -85.890834
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -216.055182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.055182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.108555 (E_RNA)
where:
Base-Base interactions energy: -137.690
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.121
local terms energy: -78.297244
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -216.795598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.795598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.925453 (E_RNA)
where:
Base-Base interactions energy: -132.890
where: short stacking energy: -61.844
Base-Backbone interact. energy: -0.242
local terms energy: -83.793545
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -343.017068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.017068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.081797 (E_RNA)
where:
Base-Base interactions energy: -232.181
where: short stacking energy: -103.714
Base-Backbone interact. energy: -0.192
local terms energy: -110.708507
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -349.520853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.520853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.553592 (E_RNA)
where:
Base-Base interactions energy: -230.751
where: short stacking energy: -115.966
Base-Backbone interact. energy: -0.005
local terms energy: -118.796937
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -36.041
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -322.197901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.197901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.363479 (E_RNA)
where:
Base-Base interactions energy: -219.134
where: short stacking energy: -104.200
Base-Backbone interact. energy: -0.197
local terms energy: -103.032255
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -28.593
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -322.106006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.106006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.072411 (E_RNA)
where:
Base-Base interactions energy: -206.846
where: short stacking energy: -90.437
Base-Backbone interact. energy: -0.163
local terms energy: -116.062998
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: 0.966 (S_DIST_RNA)
chem. 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: -296.878600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.878600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.356051 (E_RNA)
where:
Base-Base interactions energy: -199.300
where: short stacking energy: -95.661
Base-Backbone interact. energy: -0.229
local terms energy: -100.827368
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 3.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -260.362846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.362846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.897057 (E_RNA)
where:
Base-Base interactions energy: -171.278
where: short stacking energy: -66.415
Base-Backbone interact. energy: 1.042
local terms energy: -90.660516
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.534 (S_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: 253
Temperature: 1.200000
Total energy: -241.160174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.160174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.513082 (E_RNA)
where:
Base-Base interactions energy: -159.190
where: short stacking energy: -81.752
Base-Backbone interact. energy: 0.978
local terms energy: -83.300942
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. 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: -248.622363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.622363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.622363 (E_RNA)
where:
Base-Base interactions energy: -156.493
where: short stacking energy: -83.452
Base-Backbone interact. energy: -0.975
local terms energy: -91.154201
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -24.880
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -226.911414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.911414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.037890 (E_RNA)
where:
Base-Base interactions energy: -155.675
where: short stacking energy: -67.367
Base-Backbone interact. energy: 1.268
local terms energy: -72.631547
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -4.546
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -223.716432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.716432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.843415 (E_RNA)
where:
Base-Base interactions energy: -147.256
where: short stacking energy: -63.839
Base-Backbone interact. energy: 1.414
local terms energy: -78.001656
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.127 (S_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: 254
Temperature: 0.900000
Total energy: -350.964732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.964732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.066495 (E_RNA)
where:
Base-Base interactions energy: -224.689
where: short stacking energy: -115.905
Base-Backbone interact. energy: -0.059
local terms energy: -126.319189
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -36.974
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -326.805138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.805138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.481183 (E_RNA)
where:
Base-Base interactions energy: -217.080
where: short stacking energy: -108.823
Base-Backbone interact. energy: -0.054
local terms energy: -110.347104
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -28.639
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -311.258114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.258114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.463288 (E_RNA)
where:
Base-Base interactions energy: -199.575
where: short stacking energy: -91.454
Base-Backbone interact. energy: -0.404
local terms energy: -111.483757
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.205 (S_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: 254
Temperature: 1.050000
Total energy: -309.883054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.883054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.883054 (E_RNA)
where:
Base-Base interactions energy: -204.831
where: short stacking energy: -94.377
Base-Backbone interact. energy: -0.082
local terms energy: -104.969687
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -27.086
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -312.986729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.986729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.832741 (E_RNA)
where:
Base-Base interactions energy: -201.396
where: short stacking energy: -100.344
Base-Backbone interact. energy: -0.022
local terms energy: -113.414257
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -32.013
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -265.793407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.793407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.912536 (E_RNA)
where:
Base-Base interactions energy: -175.594
where: short stacking energy: -76.189
Base-Backbone interact. energy: -0.583
local terms energy: -89.736019
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.119 (S_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: 254
Temperature: 1.200000
Total energy: -253.236315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.236315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.249516 (E_RNA)
where:
Base-Base interactions energy: -165.253
where: short stacking energy: -85.165
Base-Backbone interact. energy: -0.157
local terms energy: -87.840040
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.013 (S_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: 254
Temperature: 1.250000
Total energy: -230.532399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.532399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.618115 (E_RNA)
where:
Base-Base interactions energy: -145.768
where: short stacking energy: -65.662
Base-Backbone interact. energy: 0.864
local terms energy: -85.714300
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -233.847932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.847932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.851818 (E_RNA)
where:
Base-Base interactions energy: -150.261
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.256
local terms energy: -83.334502
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -220.439899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.439899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.452017 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -66.970
Base-Backbone interact. energy: 2.058
local terms energy: -76.609884
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.012 (S_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: 255
Temperature: 0.900000
Total energy: -341.618089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.618089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.652672 (E_RNA)
where:
Base-Base interactions energy: -218.242
where: short stacking energy: -112.775
Base-Backbone interact. energy: -0.025
local terms energy: -123.385611
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -336.118353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.118353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.221520 (E_RNA)
where:
Base-Base interactions energy: -223.029
where: short stacking energy: -110.159
Base-Backbone interact. energy: 1.206
local terms energy: -114.398266
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -30.612
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -326.159642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.159642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.169594 (E_RNA)
where:
Base-Base interactions energy: -213.923
where: short stacking energy: -104.179
Base-Backbone interact. energy: -0.010
local terms energy: -112.235975
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -320.038498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.038498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.624764 (E_RNA)
where:
Base-Base interactions energy: -212.144
where: short stacking energy: -95.165
Base-Backbone interact. energy: -0.204
local terms energy: -109.276518
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 1.586 (S_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: 255
Temperature: 1.100000
Total energy: -313.202035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.202035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.327612 (E_RNA)
where:
Base-Base interactions energy: -205.199
where: short stacking energy: -99.783
Base-Backbone interact. energy: -0.192
local terms energy: -107.935942
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -29.501
Dist. restrs. and SS energy: 0.126 (S_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: 255
Temperature: 1.150000
Total energy: -257.736179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.736179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.769669 (E_RNA)
where:
Base-Base interactions energy: -160.033
where: short stacking energy: -81.418
Base-Backbone interact. energy: 0.101
local terms energy: -97.837686
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.033 (S_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: -265.353495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.353495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.504324 (E_RNA)
where:
Base-Base interactions energy: -172.219
where: short stacking energy: -73.884
Base-Backbone interact. energy: -1.413
local terms energy: -91.872372
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -239.122524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.122524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.247968 (E_RNA)
where:
Base-Base interactions energy: -150.923
where: short stacking energy: -81.372
Base-Backbone interact. energy: 0.400
local terms energy: -88.725045
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -237.775025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.775025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.819779 (E_RNA)
where:
Base-Base interactions energy: -162.525
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.148
local terms energy: -75.146587
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -213.665115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.665115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.665115 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.478
local terms energy: -70.420014
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -10.270
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: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -334.552643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.552643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.586501 (E_RNA)
where:
Base-Base interactions energy: -220.484
where: short stacking energy: -109.526
Base-Backbone interact. energy: -0.001
local terms energy: -114.102261
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -31.021
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -332.917120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.917120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.933563 (E_RNA)
where:
Base-Base interactions energy: -221.721
where: short stacking energy: -91.617
Base-Backbone interact. energy: -0.986
local terms energy: -110.226687
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.016 (S_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: 256
Temperature: 1.000000
Total energy: -314.959097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.959097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.190900 (E_RNA)
where:
Base-Base interactions energy: -209.377
where: short stacking energy: -102.068
Base-Backbone interact. energy: -0.255
local terms energy: -106.558806
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -30.364
Dist. restrs. and SS energy: 1.232 (S_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: 256
Temperature: 1.050000
Total energy: -311.341957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.341957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.341957 (E_RNA)
where:
Base-Base interactions energy: -211.903
where: short stacking energy: -95.686
Base-Backbone interact. energy: 0.744
local terms energy: -100.183006
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -13.290
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: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -298.106297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.106297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.713621 (E_RNA)
where:
Base-Base interactions energy: -194.018
where: short stacking energy: -89.764
Base-Backbone interact. energy: -0.528
local terms energy: -104.167684
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.607 (S_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: 256
Temperature: 1.150000
Total energy: -272.811510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.811510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.843243 (E_RNA)
where:
Base-Base interactions energy: -176.188
where: short stacking energy: -92.814
Base-Backbone interact. energy: 0.375
local terms energy: -97.030055
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.032 (S_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: -280.377710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.377710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.506101 (E_RNA)
where:
Base-Base interactions energy: -192.656
where: short stacking energy: -85.103
Base-Backbone interact. energy: -0.402
local terms energy: -87.447375
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -251.343054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.464929 (E_RNA)
where:
Base-Base interactions energy: -155.102
where: short stacking energy: -83.198
Base-Backbone interact. energy: -0.284
local terms energy: -96.079219
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -22.251
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -228.062513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.062513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.123667 (E_RNA)
where:
Base-Base interactions energy: -140.778
where: short stacking energy: -67.038
Base-Backbone interact. energy: 0.628
local terms energy: -87.973410
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -217.889692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.889692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.991051 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.117
local terms energy: -81.360237
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.101 (S_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: 257
Temperature: 0.900000
Total energy: -349.523692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.523692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.598950 (E_RNA)
where:
Base-Base interactions energy: -234.101
where: short stacking energy: -114.117
Base-Backbone interact. energy: -0.020
local terms energy: -115.478038
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -30.316
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. 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: -346.181150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.181150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.184006 (E_RNA)
where:
Base-Base interactions energy: -234.959
where: short stacking energy: -102.146
Base-Backbone interact. energy: -0.183
local terms energy: -111.042322
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 0.003 (S_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: 257
Temperature: 1.000000
Total energy: -315.556579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.556579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.410117 (E_RNA)
where:
Base-Base interactions energy: -217.690
where: short stacking energy: -85.198
Base-Backbone interact. energy: -0.162
local terms energy: -99.557634
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 1.854 (S_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: 257
Temperature: 1.050000
Total energy: -311.953366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.953366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.953366 (E_RNA)
where:
Base-Base interactions energy: -214.721
where: short stacking energy: -101.631
Base-Backbone interact. energy: -0.064
local terms energy: -97.168073
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -25.989
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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -295.039058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.039058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.247566 (E_RNA)
where:
Base-Base interactions energy: -210.510
where: short stacking energy: -92.751
Base-Backbone interact. energy: -1.307
local terms energy: -83.430214
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -280.375218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.375218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.418296 (E_RNA)
where:
Base-Base interactions energy: -183.608
where: short stacking energy: -80.823
Base-Backbone interact. energy: 1.709
local terms energy: -98.520018
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.043 (S_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: 257
Temperature: 1.200000
Total energy: -255.221742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.221742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.236251 (E_RNA)
where:
Base-Base interactions energy: -166.774
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.432
local terms energy: -88.030368
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -238.697041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.697041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.838254 (E_RNA)
where:
Base-Base interactions energy: -152.530
where: short stacking energy: -68.788
Base-Backbone interact. energy: 0.990
local terms energy: -87.297526
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -217.712715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.712715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.726058 (E_RNA)
where:
Base-Base interactions energy: -135.186
where: short stacking energy: -62.677
Base-Backbone interact. energy: -1.304
local terms energy: -81.236411
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -214.221863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.221863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.392564 (E_RNA)
where:
Base-Base interactions energy: -142.435
where: short stacking energy: -65.474
Base-Backbone interact. energy: 0.242
local terms energy: -72.200184
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.171 (S_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: 258
Temperature: 0.900000
Total energy: -344.159304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.159304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.256330 (E_RNA)
where:
Base-Base interactions energy: -225.531
where: short stacking energy: -112.713
Base-Backbone interact. energy: -0.058
local terms energy: -118.666576
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. 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: -323.405375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.405375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.504286 (E_RNA)
where:
Base-Base interactions energy: -216.600
where: short stacking energy: -99.582
Base-Backbone interact. energy: 1.640
local terms energy: -108.544583
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.099 (S_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: 258
Temperature: 1.000000
Total energy: -306.000913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.000913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.125434 (E_RNA)
where:
Base-Base interactions energy: -208.004
where: short stacking energy: -98.951
Base-Backbone interact. energy: -0.222
local terms energy: -99.899990
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -299.304781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.304781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.121880 (E_RNA)
where:
Base-Base interactions energy: -209.241
where: short stacking energy: -96.153
Base-Backbone interact. energy: 0.840
local terms energy: -92.720507
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -296.257226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.257226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.390421 (E_RNA)
where:
Base-Base interactions energy: -209.330
where: short stacking energy: -102.102
Base-Backbone interact. energy: -0.011
local terms energy: -87.048707
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -25.537
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -256.436709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.436709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.533049 (E_RNA)
where:
Base-Base interactions energy: -169.272
where: short stacking energy: -80.521
Base-Backbone interact. energy: -0.199
local terms energy: -87.061499
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.096 (S_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: -250.246687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.246687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.683843 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.334
local terms energy: -105.197498
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -23.188
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -240.296939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.296939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.408231 (E_RNA)
where:
Base-Base interactions energy: -148.016
where: short stacking energy: -80.398
Base-Backbone interact. energy: -0.077
local terms energy: -92.315479
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -237.817057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.817057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.963462 (E_RNA)
where:
Base-Base interactions energy: -161.329
where: short stacking energy: -79.764
Base-Backbone interact. energy: -0.455
local terms energy: -76.179447
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -210.658292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.693065 (E_RNA)
where:
Base-Base interactions energy: -134.868
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.159
local terms energy: -75.666103
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.035 (S_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: 259
Temperature: 0.900000
Total energy: -335.826114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.826114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.142394 (E_RNA)
where:
Base-Base interactions energy: -222.533
where: short stacking energy: -108.629
Base-Backbone interact. energy: -0.335
local terms energy: -113.274359
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -30.866
Dist. restrs. and SS energy: 0.316 (S_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: 259
Temperature: 0.950000
Total energy: -315.347034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.347034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.225073 (E_RNA)
where:
Base-Base interactions energy: -218.263
where: short stacking energy: -96.008
Base-Backbone interact. energy: -0.016
local terms energy: -98.945281
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 1.878 (S_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: -328.446084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.446084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.665420 (E_RNA)
where:
Base-Base interactions energy: -220.491
where: short stacking energy: -94.826
Base-Backbone interact. energy: -0.303
local terms energy: -107.871832
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -24.484
Dist. restrs. and SS energy: 0.219 (S_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: 259
Temperature: 1.050000
Total energy: -300.301946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.301946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.119374 (E_RNA)
where:
Base-Base interactions energy: -200.725
where: short stacking energy: -99.822
Base-Backbone interact. energy: -0.108
local terms energy: -100.286181
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -26.425
Dist. restrs. and SS energy: 0.817 (S_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: 259
Temperature: 1.100000
Total energy: -284.088055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.088055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.135847 (E_RNA)
where:
Base-Base interactions energy: -184.789
where: short stacking energy: -90.923
Base-Backbone interact. energy: -0.095
local terms energy: -99.252280
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.048 (S_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: -295.817432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.817432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.155544 (E_RNA)
where:
Base-Base interactions energy: -199.474
where: short stacking energy: -88.108
Base-Backbone interact. energy: 1.040
local terms energy: -97.720960
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.338 (S_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: 259
Temperature: 1.200000
Total energy: -256.349605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.349605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.438689 (E_RNA)
where:
Base-Base interactions energy: -155.716
where: short stacking energy: -73.139
Base-Backbone interact. energy: -0.543
local terms energy: -100.180493
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.089 (S_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: 259
Temperature: 1.250000
Total energy: -251.216126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.216126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.575577 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.529
local terms energy: -101.747566
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -214.250082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.250082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.335416 (E_RNA)
where:
Base-Base interactions energy: -131.823
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.481
local terms energy: -82.031339
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -221.754868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.848528 (E_RNA)
where:
Base-Base interactions energy: -137.255
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.179
local terms energy: -84.414993
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.094 (S_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: 260
Temperature: 0.900000
Total energy: -324.761122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.761122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.546347 (E_RNA)
where:
Base-Base interactions energy: -213.475
where: short stacking energy: -104.265
Base-Backbone interact. energy: -0.005
local terms energy: -113.065510
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -32.376
Dist. restrs. and SS energy: 1.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -326.028690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.028690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.028690 (E_RNA)
where:
Base-Base interactions energy: -218.463
where: short stacking energy: -92.523
Base-Backbone interact. energy: -0.184
local terms energy: -107.382229
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -317.466015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.466015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.516467 (E_RNA)
where:
Base-Base interactions energy: -218.804
where: short stacking energy: -92.572
Base-Backbone interact. energy: -0.165
local terms energy: -98.547144
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.050 (S_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: 260
Temperature: 1.050000
Total energy: -289.868754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.868754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.267746 (E_RNA)
where:
Base-Base interactions energy: -190.346
where: short stacking energy: -95.928
Base-Backbone interact. energy: -0.222
local terms energy: -100.699724
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -305.780822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.780822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.969177 (E_RNA)
where:
Base-Base interactions energy: -205.151
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.418
local terms energy: -100.399936
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.188 (S_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: 260
Temperature: 1.150000
Total energy: -288.860369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.860369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.864507 (E_RNA)
where:
Base-Base interactions energy: -180.801
where: short stacking energy: -88.475
Base-Backbone interact. energy: -0.359
local terms energy: -107.704822
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.004 (S_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: -251.156756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.156756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.328677 (E_RNA)
where:
Base-Base interactions energy: -157.707
where: short stacking energy: -82.912
Base-Backbone interact. energy: -0.585
local terms energy: -93.036825
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.172 (S_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: -234.910882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.910882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.991245 (E_RNA)
where:
Base-Base interactions energy: -151.008
where: short stacking energy: -80.194
Base-Backbone interact. energy: 0.098
local terms energy: -84.081143
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -227.342182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.342182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.354154 (E_RNA)
where:
Base-Base interactions energy: -134.923
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.520
local terms energy: -91.911477
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -209.020349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.020349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.110372 (E_RNA)
where:
Base-Base interactions energy: -131.684
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.387
local terms energy: -77.039662
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.090 (S_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: 261
Temperature: 0.900000
Total energy: -340.171024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.171024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.259156 (E_RNA)
where:
Base-Base interactions energy: -227.857
where: short stacking energy: -107.229
Base-Backbone interact. energy: -0.018
local terms energy: -114.384084
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -32.573
Dist. restrs. and SS energy: 2.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -338.098555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.098555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.186702 (E_RNA)
where:
Base-Base interactions energy: -227.648
where: short stacking energy: -100.658
Base-Backbone interact. energy: -0.692
local terms energy: -109.847524
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -29.500
Dist. restrs. and SS energy: 0.088 (S_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: -326.596967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.596967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.980879 (E_RNA)
where:
Base-Base interactions energy: -218.525
where: short stacking energy: -104.556
Base-Backbone interact. energy: -0.197
local terms energy: -108.259246
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -291.751475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.751475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.286103 (E_RNA)
where:
Base-Base interactions energy: -191.648
where: short stacking energy: -82.507
Base-Backbone interact. energy: -0.232
local terms energy: -100.405861
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.535 (S_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: 261
Temperature: 1.100000
Total energy: -277.021987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.021987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.283201 (E_RNA)
where:
Base-Base interactions energy: -184.911
where: short stacking energy: -88.104
Base-Backbone interact. energy: -0.545
local terms energy: -92.827729
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 1.261 (S_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: 261
Temperature: 1.150000
Total energy: -277.006128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.006128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.006128 (E_RNA)
where:
Base-Base interactions energy: -181.751
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.127
local terms energy: -95.128085
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.875
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: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -255.586775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.586775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.684202 (E_RNA)
where:
Base-Base interactions energy: -168.736
where: short stacking energy: -82.846
Base-Backbone interact. energy: 0.950
local terms energy: -87.898471
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -222.955846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.955846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.040906 (E_RNA)
where:
Base-Base interactions energy: -136.645
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.421
local terms energy: -85.974569
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.085 (S_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: -243.573711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.573711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.636992 (E_RNA)
where:
Base-Base interactions energy: -157.296
where: short stacking energy: -74.886
Base-Backbone interact. energy: -0.159
local terms energy: -86.182046
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -227.820204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.820204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042086 (E_RNA)
where:
Base-Base interactions energy: -147.081
where: short stacking energy: -75.092
Base-Backbone interact. energy: -0.148
local terms energy: -80.813524
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.222 (S_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: 262
Temperature: 0.900000
Total energy: -347.596302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.596302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.691835 (E_RNA)
where:
Base-Base interactions energy: -228.749
where: short stacking energy: -116.569
Base-Backbone interact. energy: -0.009
local terms energy: -118.933687
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -37.624
Dist. restrs. and SS energy: 0.096 (S_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: 262
Temperature: 0.950000
Total energy: -330.572392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.572392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.093188 (E_RNA)
where:
Base-Base interactions energy: -222.956
where: short stacking energy: -106.420
Base-Backbone interact. energy: -0.036
local terms energy: -109.101508
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -29.558
Dist. restrs. and SS energy: 1.521 (S_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: -312.822023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.822023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.852314 (E_RNA)
where:
Base-Base interactions energy: -212.993
where: short stacking energy: -97.052
Base-Backbone interact. energy: -0.585
local terms energy: -99.274426
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -25.277
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -320.314088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.314088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.728538 (E_RNA)
where:
Base-Base interactions energy: -213.725
where: short stacking energy: -92.545
Base-Backbone interact. energy: -0.713
local terms energy: -106.290670
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.414 (S_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: 262
Temperature: 1.100000
Total energy: -257.429598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.429598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.458035 (E_RNA)
where:
Base-Base interactions energy: -171.994
where: short stacking energy: -82.150
Base-Backbone interact. energy: -0.068
local terms energy: -85.395860
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.028 (S_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: 262
Temperature: 1.150000
Total energy: -273.002885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.002885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.521767 (E_RNA)
where:
Base-Base interactions energy: -169.306
where: short stacking energy: -86.671
Base-Backbone interact. energy: 0.566
local terms energy: -104.782367
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 0.519 (S_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: 262
Temperature: 1.200000
Total energy: -251.745330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.745330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.802758 (E_RNA)
where:
Base-Base interactions energy: -164.832
where: short stacking energy: -78.653
Base-Backbone interact. energy: -0.028
local terms energy: -86.942066
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -231.293011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.293011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.371232 (E_RNA)
where:
Base-Base interactions energy: -142.269
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.345
local terms energy: -88.757252
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -221.733244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.733244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.793061 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -66.634
Base-Backbone interact. energy: 1.851
local terms energy: -85.669645
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.060 (S_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: -222.279911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.279911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.279911 (E_RNA)
where:
Base-Base interactions energy: -145.529
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.457
local terms energy: -76.294069
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -7.195
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -345.239713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.239713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.259375 (E_RNA)
where:
Base-Base interactions energy: -232.074
where: short stacking energy: -117.983
Base-Backbone interact. energy: -0.001
local terms energy: -113.184688
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -34.009
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -337.767212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.767212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.814620 (E_RNA)
where:
Base-Base interactions energy: -230.919
where: short stacking energy: -103.652
Base-Backbone interact. energy: -0.125
local terms energy: -106.771188
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.047 (S_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: 263
Temperature: 1.000000
Total energy: -314.648862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.648862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.810830 (E_RNA)
where:
Base-Base interactions energy: -212.317
where: short stacking energy: -93.743
Base-Backbone interact. energy: -0.642
local terms energy: -101.852133
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -22.754
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -320.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.197479 (E_RNA)
where:
Base-Base interactions energy: -214.425
where: short stacking energy: -95.900
Base-Backbone interact. energy: -0.192
local terms energy: -105.580069
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -26.931
Dist. restrs. and SS energy: 0.042 (S_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: 263
Temperature: 1.100000
Total energy: -283.954357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.954357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.970354 (E_RNA)
where:
Base-Base interactions energy: -179.383
where: short stacking energy: -87.063
Base-Backbone interact. energy: -0.198
local terms energy: -104.389300
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.016 (S_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: 263
Temperature: 1.150000
Total energy: -273.099350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.099350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.123435 (E_RNA)
where:
Base-Base interactions energy: -171.113
where: short stacking energy: -82.107
Base-Backbone interact. energy: -0.006
local terms energy: -102.005070
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -26.682
Dist. restrs. and SS energy: 0.024 (S_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: 263
Temperature: 1.200000
Total energy: -259.129473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.129473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.224904 (E_RNA)
where:
Base-Base interactions energy: -167.355
where: short stacking energy: -85.716
Base-Backbone interact. energy: -0.053
local terms energy: -91.817480
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -219.391170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.391170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.615625 (E_RNA)
where:
Base-Base interactions energy: -128.179
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.421
local terms energy: -91.015974
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -219.727895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.727895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.804420 (E_RNA)
where:
Base-Base interactions energy: -150.054
where: short stacking energy: -75.903
Base-Backbone interact. energy: -0.632
local terms energy: -69.117814
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.077 (S_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: -233.777160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.777160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.943043 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -70.157
Base-Backbone interact. energy: -0.211
local terms energy: -86.720267
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -338.141863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.141863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.195952 (E_RNA)
where:
Base-Base interactions energy: -220.695
where: short stacking energy: -110.797
Base-Backbone interact. energy: -0.013
local terms energy: -117.487301
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -30.133
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -338.362454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.362454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.362454 (E_RNA)
where:
Base-Base interactions energy: -222.150
where: short stacking energy: -107.492
Base-Backbone interact. energy: -0.168
local terms energy: -116.044632
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -33.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -318.296417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.296417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.347105 (E_RNA)
where:
Base-Base interactions energy: -215.413
where: short stacking energy: -106.800
Base-Backbone interact. energy: -0.531
local terms energy: -102.403380
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. 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: -317.011030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.011030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.011030 (E_RNA)
where:
Base-Base interactions energy: -208.149
where: short stacking energy: -91.975
Base-Backbone interact. energy: -0.210
local terms energy: -108.651384
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -27.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -285.353915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.353915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.017748 (E_RNA)
where:
Base-Base interactions energy: -190.028
where: short stacking energy: -84.687
Base-Backbone interact. energy: -0.832
local terms energy: -95.157994
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.664 (S_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: 264
Temperature: 1.150000
Total energy: -293.469640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.469640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.569476 (E_RNA)
where:
Base-Base interactions energy: -199.956
where: short stacking energy: -88.224
Base-Backbone interact. energy: 2.006
local terms energy: -95.618937
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.100 (S_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: 264
Temperature: 1.200000
Total energy: -254.465042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.465042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.485957 (E_RNA)
where:
Base-Base interactions energy: -159.416
where: short stacking energy: -83.909
Base-Backbone interact. energy: -0.002
local terms energy: -95.067653
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -26.616
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -230.935588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.935588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.179965 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.220
local terms energy: -86.337147
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.244 (S_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: -236.749284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.749284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.122774 (E_RNA)
where:
Base-Base interactions energy: -160.469
where: short stacking energy: -84.410
Base-Backbone interact. energy: 1.706
local terms energy: -78.360177
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -216.677803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.677803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.172451 (E_RNA)
where:
Base-Base interactions energy: -130.543
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.258
local terms energy: -86.371237
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -341.585775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.585775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.658889 (E_RNA)
where:
Base-Base interactions energy: -225.659
where: short stacking energy: -105.171
Base-Backbone interact. energy: 0.090
local terms energy: -116.089566
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -29.654
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -339.030582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.041449 (E_RNA)
where:
Base-Base interactions energy: -223.669
where: short stacking energy: -110.766
Base-Backbone interact. energy: -0.078
local terms energy: -115.294616
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -34.056
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -317.085624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.085624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.420390 (E_RNA)
where:
Base-Base interactions energy: -210.469
where: short stacking energy: -107.394
Base-Backbone interact. energy: -0.169
local terms energy: -106.782722
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. 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: -328.515979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.515979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.552919 (E_RNA)
where:
Base-Base interactions energy: -220.505
where: short stacking energy: -102.279
Base-Backbone interact. energy: -0.111
local terms energy: -107.936260
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -295.721058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.721058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.567070 (E_RNA)
where:
Base-Base interactions energy: -202.211
where: short stacking energy: -84.777
Base-Backbone interact. energy: -0.556
local terms energy: -94.799712
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 1.846 (S_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: 265
Temperature: 1.150000
Total energy: -258.955861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.955861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.978349 (E_RNA)
where:
Base-Base interactions energy: -162.106
where: short stacking energy: -69.139
Base-Backbone interact. energy: -0.092
local terms energy: -96.780585
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -270.920763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.920763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.992267 (E_RNA)
where:
Base-Base interactions energy: -173.246
where: short stacking energy: -83.886
Base-Backbone interact. energy: -0.057
local terms energy: -97.689632
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.072 (S_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: -238.251680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.251680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.296854 (E_RNA)
where:
Base-Base interactions energy: -151.895
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.294
local terms energy: -86.107749
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -234.359754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.359754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.359754 (E_RNA)
where:
Base-Base interactions energy: -151.586
where: short stacking energy: -76.251
Base-Backbone interact. energy: 0.358
local terms energy: -83.131260
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -218.149256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.149256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.149256 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -60.723
Base-Backbone interact. energy: -0.089
local terms energy: -84.620568
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -343.412156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.412156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.457429 (E_RNA)
where:
Base-Base interactions energy: -228.691
where: short stacking energy: -112.103
Base-Backbone interact. energy: -0.003
local terms energy: -114.763408
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -30.449
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -325.713095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.713095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.055550 (E_RNA)
where:
Base-Base interactions energy: -218.093
where: short stacking energy: -103.334
Base-Backbone interact. energy: -0.052
local terms energy: -107.910634
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -30.593
Dist. restrs. and SS energy: 0.342 (S_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: 266
Temperature: 1.000000
Total energy: -333.042495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.042495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.154332 (E_RNA)
where:
Base-Base interactions energy: -218.347
where: short stacking energy: -100.907
Base-Backbone interact. energy: -0.022
local terms energy: -114.784666
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -28.241
Dist. restrs. and SS energy: 0.112 (S_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: 266
Temperature: 1.050000
Total energy: -310.349209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.349209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.355656 (E_RNA)
where:
Base-Base interactions energy: -208.404
where: short stacking energy: -98.005
Base-Backbone interact. energy: -0.194
local terms energy: -101.757964
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -27.721
Dist. restrs. and SS energy: 0.006 (S_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: 266
Temperature: 1.100000
Total energy: -292.858803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.858803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.493407 (E_RNA)
where:
Base-Base interactions energy: -200.810
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.321
local terms energy: -93.362291
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 1.635 (S_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: -264.321263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.321263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.534306 (E_RNA)
where:
Base-Base interactions energy: -171.683
where: short stacking energy: -73.790
Base-Backbone interact. energy: -0.617
local terms energy: -92.234538
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.213 (S_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: 266
Temperature: 1.200000
Total energy: -242.760897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.760897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.026886 (E_RNA)
where:
Base-Base interactions energy: -164.294
where: short stacking energy: -71.640
Base-Backbone interact. energy: 5.506
local terms energy: -84.238706
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -238.733749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.733749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.759325 (E_RNA)
where:
Base-Base interactions energy: -150.399
where: short stacking energy: -75.971
Base-Backbone interact. energy: -0.109
local terms energy: -88.251075
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -236.997632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.997632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.171907 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -78.937
Base-Backbone interact. energy: -0.114
local terms energy: -86.338567
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -223.722481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.722481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.787376 (E_RNA)
where:
Base-Base interactions energy: -141.407
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.034
local terms energy: -82.345773
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -342.863375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.863375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.902486 (E_RNA)
where:
Base-Base interactions energy: -220.952
where: short stacking energy: -105.786
Base-Backbone interact. energy: -0.006
local terms energy: -121.944414
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -35.170
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -332.579317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.579317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.599675 (E_RNA)
where:
Base-Base interactions energy: -212.926
where: short stacking energy: -100.393
Base-Backbone interact. energy: -0.703
local terms energy: -118.970205
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -30.197
Dist. restrs. and SS energy: 0.020 (S_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: 267
Temperature: 1.000000
Total energy: -330.286252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.286252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.286252 (E_RNA)
where:
Base-Base interactions energy: -224.808
where: short stacking energy: -106.668
Base-Backbone interact. energy: -0.021
local terms energy: -105.457620
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -311.571501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.571501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.853603 (E_RNA)
where:
Base-Base interactions energy: -203.658
where: short stacking energy: -97.618
Base-Backbone interact. energy: -0.108
local terms energy: -108.087340
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.282 (S_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: 267
Temperature: 1.100000
Total energy: -294.366186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.366186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.951906 (E_RNA)
where:
Base-Base interactions energy: -190.865
where: short stacking energy: -81.365
Base-Backbone interact. energy: 0.286
local terms energy: -104.372996
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -274.039014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.039014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.443127 (E_RNA)
where:
Base-Base interactions energy: -178.142
where: short stacking energy: -76.009
Base-Backbone interact. energy: -0.102
local terms energy: -96.198789
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.404 (S_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: 267
Temperature: 1.200000
Total energy: -256.017294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.017294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.150015 (E_RNA)
where:
Base-Base interactions energy: -169.794
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.600
local terms energy: -85.755483
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.133 (S_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: 267
Temperature: 1.250000
Total energy: -240.099090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.099090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.221344 (E_RNA)
where:
Base-Base interactions energy: -158.047
where: short stacking energy: -73.601
Base-Backbone interact. energy: -0.170
local terms energy: -82.003795
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -227.659044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.659044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.659044 (E_RNA)
where:
Base-Base interactions energy: -137.957
where: short stacking energy: -66.807
Base-Backbone interact. energy: 0.450
local terms energy: -90.151927
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -212.744144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.744144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.972654 (E_RNA)
where:
Base-Base interactions energy: -132.915
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.080
local terms energy: -79.977289
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -339.258208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.258208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.609554 (E_RNA)
where:
Base-Base interactions energy: -228.068
where: short stacking energy: -109.947
Base-Backbone interact. energy: -0.004
local terms energy: -111.537860
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -32.390
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -326.923551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.923551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.110918 (E_RNA)
where:
Base-Base interactions energy: -216.710
where: short stacking energy: -104.460
Base-Backbone interact. energy: -0.168
local terms energy: -110.232826
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.187 (S_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: 268
Temperature: 1.000000
Total energy: -327.712489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.712489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.712489 (E_RNA)
where:
Base-Base interactions energy: -219.927
where: short stacking energy: -102.364
Base-Backbone interact. energy: 0.076
local terms energy: -107.861442
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -30.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -311.639092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.437362 (E_RNA)
where:
Base-Base interactions energy: -204.125
where: short stacking energy: -85.922
Base-Backbone interact. energy: -0.282
local terms energy: -108.030441
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -257.436528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.436528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.458889 (E_RNA)
where:
Base-Base interactions energy: -157.340
where: short stacking energy: -80.986
Base-Backbone interact. energy: -0.590
local terms energy: -99.528933
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -265.501710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.501710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.589343 (E_RNA)
where:
Base-Base interactions energy: -180.720
where: short stacking energy: -78.714
Base-Backbone interact. energy: -1.406
local terms energy: -83.463342
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.088 (S_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: 268
Temperature: 1.200000
Total energy: -270.973643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.973643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.988812 (E_RNA)
where:
Base-Base interactions energy: -184.369
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.373
local terms energy: -86.246686
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.015 (S_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: 268
Temperature: 1.250000
Total energy: -225.179678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.179678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259964 (E_RNA)
where:
Base-Base interactions energy: -140.619
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.768
local terms energy: -83.872229
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. 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: -233.477908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.477908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.753911 (E_RNA)
where:
Base-Base interactions energy: -147.775
where: short stacking energy: -77.614
Base-Backbone interact. energy: 1.081
local terms energy: -87.059677
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -199.725606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.725606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.789802 (E_RNA)
where:
Base-Base interactions energy: -127.370
where: short stacking energy: -54.979
Base-Backbone interact. energy: 0.941
local terms energy: -73.360778
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -340.591830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.591830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.703231 (E_RNA)
where:
Base-Base interactions energy: -229.565
where: short stacking energy: -111.033
Base-Backbone interact. energy: -0.188
local terms energy: -110.949960
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -34.489
Dist. restrs. and SS energy: 0.111 (S_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: 269
Temperature: 0.950000
Total energy: -329.597624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.597624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.817120 (E_RNA)
where:
Base-Base interactions energy: -216.728
where: short stacking energy: -103.688
Base-Backbone interact. energy: -0.762
local terms energy: -112.327157
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.219 (S_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: 269
Temperature: 1.000000
Total energy: -317.161052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.161052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.233714 (E_RNA)
where:
Base-Base interactions energy: -211.270
where: short stacking energy: -100.565
Base-Backbone interact. energy: -0.189
local terms energy: -105.774535
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 0.073 (S_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: 269
Temperature: 1.050000
Total energy: -311.614824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.614824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.647154 (E_RNA)
where:
Base-Base interactions energy: -203.283
where: short stacking energy: -99.833
Base-Backbone interact. energy: -0.052
local terms energy: -108.312542
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -256.583577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.583577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.654249 (E_RNA)
where:
Base-Base interactions energy: -159.698
where: short stacking energy: -81.870
Base-Backbone interact. energy: -1.005
local terms energy: -95.951193
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -270.926225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.926225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.998525 (E_RNA)
where:
Base-Base interactions energy: -171.579
where: short stacking energy: -81.696
Base-Backbone interact. energy: 0.795
local terms energy: -100.214120
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.072 (S_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: 269
Temperature: 1.200000
Total energy: -260.085252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.085252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.159584 (E_RNA)
where:
Base-Base interactions energy: -174.818
where: short stacking energy: -81.045
Base-Backbone interact. energy: -0.521
local terms energy: -84.820809
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.074 (S_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: 269
Temperature: 1.250000
Total energy: -229.567848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.567848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.684859 (E_RNA)
where:
Base-Base interactions energy: -156.037
where: short stacking energy: -70.891
Base-Backbone interact. energy: 0.094
local terms energy: -73.741791
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -216.085691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.085691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249119 (E_RNA)
where:
Base-Base interactions energy: -141.992
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.318
local terms energy: -73.938979
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -204.401354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.401354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.440948 (E_RNA)
where:
Base-Base interactions energy: -127.846
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.164
local terms energy: -76.430192
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.040 (S_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: 270
Temperature: 0.900000
Total energy: -335.431227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.431227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.701388 (E_RNA)
where:
Base-Base interactions energy: -222.591
where: short stacking energy: -100.617
Base-Backbone interact. energy: -0.588
local terms energy: -112.522101
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -30.927
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -336.441836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.441836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.473003 (E_RNA)
where:
Base-Base interactions energy: -225.361
where: short stacking energy: -95.177
Base-Backbone interact. energy: -0.116
local terms energy: -110.996159
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -28.280
Dist. restrs. and SS energy: 0.031 (S_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: 270
Temperature: 1.000000
Total energy: -318.437046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.437046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.726032 (E_RNA)
where:
Base-Base interactions energy: -213.804
where: short stacking energy: -92.641
Base-Backbone interact. energy: 0.457
local terms energy: -107.378845
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 2.289 (S_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: 270
Temperature: 1.050000
Total energy: -301.919438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.919438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.935213 (E_RNA)
where:
Base-Base interactions energy: -203.565
where: short stacking energy: -91.868
Base-Backbone interact. energy: -0.042
local terms energy: -100.328002
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -33.463
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -314.260992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.260992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.500992 (E_RNA)
where:
Base-Base interactions energy: -201.885
where: short stacking energy: -98.220
Base-Backbone interact. energy: -0.220
local terms energy: -112.395407
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -29.696
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -273.179875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.179875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.565361 (E_RNA)
where:
Base-Base interactions energy: -176.430
where: short stacking energy: -76.157
Base-Backbone interact. energy: -0.300
local terms energy: -96.834926
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.385 (S_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: 270
Temperature: 1.200000
Total energy: -270.063419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.063419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.188053 (E_RNA)
where:
Base-Base interactions energy: -183.448
where: short stacking energy: -77.167
Base-Backbone interact. energy: 0.412
local terms energy: -87.151597
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.125 (S_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: 270
Temperature: 1.250000
Total energy: -235.966776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.966776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.080826 (E_RNA)
where:
Base-Base interactions energy: -144.314
where: short stacking energy: -72.758
Base-Backbone interact. energy: -0.342
local terms energy: -91.424922
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -224.001258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.001258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.222677 (E_RNA)
where:
Base-Base interactions energy: -150.414
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.094
local terms energy: -73.714901
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -209.144436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.144436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.192950 (E_RNA)
where:
Base-Base interactions energy: -133.689
where: short stacking energy: -70.947
Base-Backbone interact. energy: 2.040
local terms energy: -77.544112
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.049 (S_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: 271
Temperature: 0.900000
Total energy: -335.712090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.712090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.712090 (E_RNA)
where:
Base-Base interactions energy: -220.590
where: short stacking energy: -102.645
Base-Backbone interact. energy: -0.055
local terms energy: -115.066890
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -32.147
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: 271
Temperature: 0.950000
Total energy: -316.677453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.677453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.922699 (E_RNA)
where:
Base-Base interactions energy: -211.176
where: short stacking energy: -101.244
Base-Backbone interact. energy: -0.147
local terms energy: -105.599632
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -335.595609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.595609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.617875 (E_RNA)
where:
Base-Base interactions energy: -225.442
where: short stacking energy: -102.335
Base-Backbone interact. energy: -0.173
local terms energy: -110.002297
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -309.869037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.869037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.894809 (E_RNA)
where:
Base-Base interactions energy: -210.751
where: short stacking energy: -91.058
Base-Backbone interact. energy: -0.149
local terms energy: -98.995111
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.026 (S_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: 271
Temperature: 1.100000
Total energy: -292.545551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.545551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.637505 (E_RNA)
where:
Base-Base interactions energy: -184.322
where: short stacking energy: -72.432
Base-Backbone interact. energy: -0.253
local terms energy: -108.061684
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.092 (S_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: 271
Temperature: 1.150000
Total energy: -262.621694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.621694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.741721 (E_RNA)
where:
Base-Base interactions energy: -166.650
where: short stacking energy: -84.592
Base-Backbone interact. energy: -0.025
local terms energy: -96.067004
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.120 (S_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: 271
Temperature: 1.200000
Total energy: -246.811032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.811032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.906302 (E_RNA)
where:
Base-Base interactions energy: -154.842
where: short stacking energy: -81.734
Base-Backbone interact. energy: -0.039
local terms energy: -92.025338
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -23.146
Dist. restrs. and SS energy: 0.095 (S_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: 271
Temperature: 1.250000
Total energy: -250.723914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.723914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.732953 (E_RNA)
where:
Base-Base interactions energy: -169.215
where: short stacking energy: -82.007
Base-Backbone interact. energy: 0.109
local terms energy: -81.626324
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -242.460990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.460990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.511077 (E_RNA)
where:
Base-Base interactions energy: -153.574
where: short stacking energy: -73.047
Base-Backbone interact. energy: -0.137
local terms energy: -88.799600
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -234.757765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.757765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.782117 (E_RNA)
where:
Base-Base interactions energy: -149.359
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.097
local terms energy: -85.325759
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.024 (S_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: 272
Temperature: 0.900000
Total energy: -334.648879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.648879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.672379 (E_RNA)
where:
Base-Base interactions energy: -218.540
where: short stacking energy: -105.740
Base-Backbone interact. energy: -0.074
local terms energy: -116.058422
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -30.684
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -327.557988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.557988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.590804 (E_RNA)
where:
Base-Base interactions energy: -215.553
where: short stacking energy: -101.948
Base-Backbone interact. energy: -0.082
local terms energy: -111.955897
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 0.033 (S_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: 272
Temperature: 1.000000
Total energy: -318.077803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.077803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.129753 (E_RNA)
where:
Base-Base interactions energy: -218.095
where: short stacking energy: -100.735
Base-Backbone interact. energy: -0.245
local terms energy: -99.789264
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -26.064
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -304.437374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.437374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.464163 (E_RNA)
where:
Base-Base interactions energy: -210.366
where: short stacking energy: -96.626
Base-Backbone interact. energy: -0.354
local terms energy: -93.743566
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.027 (S_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: 272
Temperature: 1.100000
Total energy: -277.674253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.674253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.714707 (E_RNA)
where:
Base-Base interactions energy: -195.615
where: short stacking energy: -79.751
Base-Backbone interact. energy: -0.221
local terms energy: -81.879480
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.040 (S_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: 272
Temperature: 1.150000
Total energy: -265.642905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.642905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.739111 (E_RNA)
where:
Base-Base interactions energy: -167.640
where: short stacking energy: -88.342
Base-Backbone interact. energy: -0.005
local terms energy: -98.094199
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.096 (S_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: 272
Temperature: 1.200000
Total energy: -241.043023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.043023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.055023 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -72.936
Base-Backbone interact. energy: 1.866
local terms energy: -90.907682
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.012 (S_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: -232.632050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.632050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.092288 (E_RNA)
where:
Base-Base interactions energy: -143.596
where: short stacking energy: -77.701
Base-Backbone interact. energy: 1.298
local terms energy: -90.793874
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. 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: -225.584425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.584425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.584425 (E_RNA)
where:
Base-Base interactions energy: -150.057
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.124
local terms energy: -75.403367
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -232.984083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.984083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.998259 (E_RNA)
where:
Base-Base interactions energy: -151.052
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.898
local terms energy: -81.048755
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.014 (S_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: 273
Temperature: 0.900000
Total energy: -335.995847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.995847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.027710 (E_RNA)
where:
Base-Base interactions energy: -220.477
where: short stacking energy: -103.642
Base-Backbone interact. energy: -0.044
local terms energy: -115.506961
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -31.044
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -339.961262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.961262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.998787 (E_RNA)
where:
Base-Base interactions energy: -228.115
where: short stacking energy: -107.089
Base-Backbone interact. energy: -0.216
local terms energy: -111.668014
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -28.782
Dist. restrs. and SS energy: 0.038 (S_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: -316.927320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.927320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.927320 (E_RNA)
where:
Base-Base interactions energy: -219.025
where: short stacking energy: -103.310
Base-Backbone interact. energy: -0.240
local terms energy: -97.662725
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -28.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -310.451390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.451390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.451390 (E_RNA)
where:
Base-Base interactions energy: -214.016
where: short stacking energy: -90.453
Base-Backbone interact. energy: -0.443
local terms energy: -95.991684
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -308.150771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.150771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.253847 (E_RNA)
where:
Base-Base interactions energy: -201.132
where: short stacking energy: -99.306
Base-Backbone interact. energy: -0.154
local terms energy: -106.967549
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.103 (S_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: 273
Temperature: 1.150000
Total energy: -248.526234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.526234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.789591 (E_RNA)
where:
Base-Base interactions energy: -167.588
where: short stacking energy: -84.626
Base-Backbone interact. energy: 0.430
local terms energy: -81.631355
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.263 (S_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: 273
Temperature: 1.200000
Total energy: -254.967120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.967120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.993384 (E_RNA)
where:
Base-Base interactions energy: -163.575
where: short stacking energy: -89.001
Base-Backbone interact. energy: -0.369
local terms energy: -91.050159
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.026 (S_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: -236.657070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.657070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.111080 (E_RNA)
where:
Base-Base interactions energy: -141.570
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.078
local terms energy: -95.463040
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. 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: -250.673413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.673413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.673413 (E_RNA)
where:
Base-Base interactions energy: -154.454
where: short stacking energy: -60.577
Base-Backbone interact. energy: 0.140
local terms energy: -96.360179
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -21.306
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: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -237.704584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.704584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.758856 (E_RNA)
where:
Base-Base interactions energy: -153.098
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.050
local terms energy: -84.610620
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.054 (S_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: 274
Temperature: 0.900000
Total energy: -331.800827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.800827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.845916 (E_RNA)
where:
Base-Base interactions energy: -236.473
where: short stacking energy: -97.834
Base-Backbone interact. energy: -0.884
local terms energy: -94.488214
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.045 (S_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: 274
Temperature: 0.950000
Total energy: -327.650487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.650487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.651204 (E_RNA)
where:
Base-Base interactions energy: -223.558
where: short stacking energy: -108.891
Base-Backbone interact. energy: -0.006
local terms energy: -104.087997
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -316.066849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.066849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.067892 (E_RNA)
where:
Base-Base interactions energy: -215.126
where: short stacking energy: -96.346
Base-Backbone interact. energy: -0.258
local terms energy: -100.684375
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.001 (S_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: 274
Temperature: 1.050000
Total energy: -299.764535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.764535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.918844 (E_RNA)
where:
Base-Base interactions energy: -201.805
where: short stacking energy: -92.152
Base-Backbone interact. energy: -0.237
local terms energy: -97.876640
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -246.028440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.028440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.028440 (E_RNA)
where:
Base-Base interactions energy: -148.396
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.131
local terms energy: -97.501577
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -21.159
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: 274
Temperature: 1.150000
Total energy: -271.341989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.341989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.354075 (E_RNA)
where:
Base-Base interactions energy: -183.473
where: short stacking energy: -85.293
Base-Backbone interact. energy: -0.048
local terms energy: -87.832541
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.012 (S_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: 274
Temperature: 1.200000
Total energy: -247.012152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.012152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.248057 (E_RNA)
where:
Base-Base interactions energy: -148.377
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.021
local terms energy: -98.850219
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.236 (S_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: 274
Temperature: 1.250000
Total energy: -252.388083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.388083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.465202 (E_RNA)
where:
Base-Base interactions energy: -160.070
where: short stacking energy: -80.158
Base-Backbone interact. energy: -0.187
local terms energy: -92.208671
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -230.157716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.157716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.199959 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.210
local terms energy: -87.826659
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. 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: -249.502940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.502940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.572787 (E_RNA)
where:
Base-Base interactions energy: -181.212
where: short stacking energy: -77.305
Base-Backbone interact. energy: -0.501
local terms energy: -67.860249
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.070 (S_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: 275
Temperature: 0.900000
Total energy: -329.006147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.006147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.006147 (E_RNA)
where:
Base-Base interactions energy: -222.988
where: short stacking energy: -101.283
Base-Backbone interact. energy: -0.146
local terms energy: -105.872407
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -324.891816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.891816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.024087 (E_RNA)
where:
Base-Base interactions energy: -227.088
where: short stacking energy: -98.826
Base-Backbone interact. energy: -0.227
local terms energy: -97.708246
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -23.531
Dist. restrs. and SS energy: 0.132 (S_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: 275
Temperature: 1.000000
Total energy: -316.969741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.969741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.054221 (E_RNA)
where:
Base-Base interactions energy: -206.195
where: short stacking energy: -95.847
Base-Backbone interact. energy: -0.110
local terms energy: -110.749114
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -28.354
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -300.217290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.217290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.217290 (E_RNA)
where:
Base-Base interactions energy: -196.240
where: short stacking energy: -80.890
Base-Backbone interact. energy: -0.121
local terms energy: -103.856343
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -26.503
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: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -308.442849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.442849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.101579 (E_RNA)
where:
Base-Base interactions energy: -204.751
where: short stacking energy: -86.568
Base-Backbone interact. energy: 0.488
local terms energy: -104.838260
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -264.152374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.152374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.173073 (E_RNA)
where:
Base-Base interactions energy: -173.393
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.006
local terms energy: -90.773550
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.021 (S_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: -263.695706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.695706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.695706 (E_RNA)
where:
Base-Base interactions energy: -175.875
where: short stacking energy: -95.994
Base-Backbone interact. energy: 0.547
local terms energy: -88.368325
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -246.184974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.184974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.259674 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -73.391
Base-Backbone interact. energy: 1.142
local terms energy: -83.746593
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.075 (S_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: 275
Temperature: 1.300000
Total energy: -239.517644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.517644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.633293 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.101
local terms energy: -93.179132
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. 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: -244.381769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.381769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.678003 (E_RNA)
where:
Base-Base interactions energy: -164.692
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.436
local terms energy: -79.550556
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -333.528479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.528479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.551311 (E_RNA)
where:
Base-Base interactions energy: -222.236
where: short stacking energy: -99.156
Base-Backbone interact. energy: -0.118
local terms energy: -111.197808
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -332.734654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.734654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.789214 (E_RNA)
where:
Base-Base interactions energy: -220.993
where: short stacking energy: -102.821
Base-Backbone interact. energy: -0.094
local terms energy: -111.702085
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -31.186
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -316.297039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.297039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.383856 (E_RNA)
where:
Base-Base interactions energy: -206.230
where: short stacking energy: -86.593
Base-Backbone interact. energy: 0.062
local terms energy: -110.216612
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. 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: -292.773560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.773560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.832286 (E_RNA)
where:
Base-Base interactions energy: -199.301
where: short stacking energy: -82.523
Base-Backbone interact. energy: -0.311
local terms energy: -93.220648
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.059 (S_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: 276
Temperature: 1.100000
Total energy: -296.347505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.347505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.390751 (E_RNA)
where:
Base-Base interactions energy: -203.563
where: short stacking energy: -89.629
Base-Backbone interact. energy: -0.764
local terms energy: -92.063669
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -267.036873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.036873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.059173 (E_RNA)
where:
Base-Base interactions energy: -181.861
where: short stacking energy: -85.862
Base-Backbone interact. energy: 0.384
local terms energy: -85.582671
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.022 (S_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: -276.544389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.544389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.695511 (E_RNA)
where:
Base-Base interactions energy: -187.508
where: short stacking energy: -81.704
Base-Backbone interact. energy: -0.242
local terms energy: -88.945577
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -237.184185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.184185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.184185 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.689
local terms energy: -92.522718
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -15.245
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: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -225.422750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.422750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.524961 (E_RNA)
where:
Base-Base interactions energy: -141.230
where: short stacking energy: -60.883
Base-Backbone interact. energy: -1.010
local terms energy: -83.284894
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -214.397657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.397657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.676030 (E_RNA)
where:
Base-Base interactions energy: -130.287
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.331
local terms energy: -84.057692
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -334.159959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.159959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.161773 (E_RNA)
where:
Base-Base interactions energy: -225.327
where: short stacking energy: -101.201
Base-Backbone interact. energy: -0.561
local terms energy: -108.273130
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -328.206797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.206797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.283221 (E_RNA)
where:
Base-Base interactions energy: -217.605
where: short stacking energy: -98.355
Base-Backbone interact. energy: 0.496
local terms energy: -111.173979
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: 0.076 (S_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: 277
Temperature: 1.000000
Total energy: -313.777836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.777836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.805032 (E_RNA)
where:
Base-Base interactions energy: -207.477
where: short stacking energy: -92.564
Base-Backbone interact. energy: -0.283
local terms energy: -106.045516
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -28.702
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -286.791462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.791462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.860420 (E_RNA)
where:
Base-Base interactions energy: -193.827
where: short stacking energy: -80.056
Base-Backbone interact. energy: 0.299
local terms energy: -93.332425
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.069 (S_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: 277
Temperature: 1.100000
Total energy: -265.850128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.850128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.290525 (E_RNA)
where:
Base-Base interactions energy: -170.745
where: short stacking energy: -77.441
Base-Backbone interact. energy: -0.414
local terms energy: -95.130919
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.440 (S_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: -287.026257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.026257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.168691 (E_RNA)
where:
Base-Base interactions energy: -184.808
where: short stacking energy: -79.566
Base-Backbone interact. energy: -0.256
local terms energy: -102.104036
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.142 (S_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: 277
Temperature: 1.200000
Total energy: -247.286315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.286315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.351362 (E_RNA)
where:
Base-Base interactions energy: -164.173
where: short stacking energy: -77.050
Base-Backbone interact. energy: -0.269
local terms energy: -82.908580
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -238.292108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.292108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.344966 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -82.065
Base-Backbone interact. energy: -0.039
local terms energy: -88.112049
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -227.774658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.774658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.056678 (E_RNA)
where:
Base-Base interactions energy: -143.746
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.278
local terms energy: -84.032274
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -222.157379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.157379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157379 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -69.261
Base-Backbone interact. energy: 1.979
local terms energy: -76.590913
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -14.376
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: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -324.327116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.327116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.335080 (E_RNA)
where:
Base-Base interactions energy: -212.865
where: short stacking energy: -103.293
Base-Backbone interact. energy: -0.025
local terms energy: -111.446004
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -31.707
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -324.589416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.589416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.803751 (E_RNA)
where:
Base-Base interactions energy: -216.610
where: short stacking energy: -101.097
Base-Backbone interact. energy: 0.135
local terms energy: -108.328488
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.214 (S_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: 278
Temperature: 1.000000
Total energy: -334.828797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.828797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.857416 (E_RNA)
where:
Base-Base interactions energy: -227.016
where: short stacking energy: -112.394
Base-Backbone interact. energy: -0.022
local terms energy: -107.820198
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -32.399
Dist. restrs. and SS energy: 0.029 (S_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: 278
Temperature: 1.050000
Total energy: -298.696484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.696484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.887388 (E_RNA)
where:
Base-Base interactions energy: -201.715
where: short stacking energy: -95.842
Base-Backbone interact. energy: -0.182
local terms energy: -96.989939
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. 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: -258.985172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.985172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.999252 (E_RNA)
where:
Base-Base interactions energy: -163.227
where: short stacking energy: -80.456
Base-Backbone interact. energy: -0.159
local terms energy: -95.613523
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -251.562601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.562601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.685939 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -81.574
Base-Backbone interact. energy: 0.253
local terms energy: -96.272097
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -264.104899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.104899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.281126 (E_RNA)
where:
Base-Base interactions energy: -165.908
where: short stacking energy: -80.261
Base-Backbone interact. energy: -0.601
local terms energy: -97.771814
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.176 (S_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: -237.201572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.201572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.271367 (E_RNA)
where:
Base-Base interactions energy: -146.029
where: short stacking energy: -70.521
Base-Backbone interact. energy: -0.578
local terms energy: -90.663785
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.070 (S_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: 278
Temperature: 1.300000
Total energy: -235.554596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.554596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.641595 (E_RNA)
where:
Base-Base interactions energy: -144.413
where: short stacking energy: -66.185
Base-Backbone interact. energy: 0.645
local terms energy: -91.873950
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -213.204722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.204722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.275469 (E_RNA)
where:
Base-Base interactions energy: -136.740
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.265
local terms energy: -76.270046
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -331.219724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.219724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.295317 (E_RNA)
where:
Base-Base interactions energy: -216.709
where: short stacking energy: -98.321
Base-Backbone interact. energy: -0.014
local terms energy: -114.572169
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -32.173
Dist. restrs. and SS energy: 0.076 (S_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: 279
Temperature: 0.950000
Total energy: -340.433722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.433722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.433722 (E_RNA)
where:
Base-Base interactions energy: -218.384
where: short stacking energy: -112.172
Base-Backbone interact. energy: -0.158
local terms energy: -121.890954
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -34.920
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: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -313.923936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.923936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.054026 (E_RNA)
where:
Base-Base interactions energy: -209.342
where: short stacking energy: -96.212
Base-Backbone interact. energy: -0.658
local terms energy: -104.053750
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.130 (S_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: 279
Temperature: 1.050000
Total energy: -301.449757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.449757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.476981 (E_RNA)
where:
Base-Base interactions energy: -210.495
where: short stacking energy: -91.885
Base-Backbone interact. energy: -0.030
local terms energy: -90.952084
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -25.537
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. 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: -256.126494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.126494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.126494 (E_RNA)
where:
Base-Base interactions energy: -166.859
where: short stacking energy: -92.313
Base-Backbone interact. energy: -0.045
local terms energy: -89.222329
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -19.947
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -259.558734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.558734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.586620 (E_RNA)
where:
Base-Base interactions energy: -160.708
where: short stacking energy: -86.155
Base-Backbone interact. energy: 0.222
local terms energy: -99.100112
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -25.170
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -248.559163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.559163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.576614 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.936
local terms energy: -103.618129
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.017 (S_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: 279
Temperature: 1.250000
Total energy: -248.285351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.285351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.322251 (E_RNA)
where:
Base-Base interactions energy: -154.016
where: short stacking energy: -74.939
Base-Backbone interact. energy: -0.938
local terms energy: -93.368088
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.037 (S_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: -244.192414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.192414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.192414 (E_RNA)
where:
Base-Base interactions energy: -165.694
where: short stacking energy: -81.744
Base-Backbone interact. energy: -0.126
local terms energy: -78.371791
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -237.681121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.681121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.681121 (E_RNA)
where:
Base-Base interactions energy: -159.026
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.194
local terms energy: -78.461585
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -349.551194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.551194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.553653 (E_RNA)
where:
Base-Base interactions energy: -232.965
where: short stacking energy: -110.257
Base-Backbone interact. energy: -0.001
local terms energy: -116.587489
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -34.928
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -327.953625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.953625 (E_RNA)
where:
Base-Base interactions energy: -214.122
where: short stacking energy: -101.089
Base-Backbone interact. energy: -0.116
local terms energy: -113.715128
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -30.159
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: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -333.694540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.694540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.719184 (E_RNA)
where:
Base-Base interactions energy: -228.864
where: short stacking energy: -110.127
Base-Backbone interact. energy: -0.242
local terms energy: -104.612942
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -28.350
Dist. restrs. and SS energy: 0.025 (S_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: 280
Temperature: 1.050000
Total energy: -283.141372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.141372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.202807 (E_RNA)
where:
Base-Base interactions energy: -186.187
where: short stacking energy: -91.663
Base-Backbone interact. energy: -0.187
local terms energy: -96.828028
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -280.952264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.952264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.109287 (E_RNA)
where:
Base-Base interactions energy: -185.997
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.105
local terms energy: -95.006765
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.157 (S_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: 280
Temperature: 1.150000
Total energy: -256.280796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.280796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.424516 (E_RNA)
where:
Base-Base interactions energy: -169.435
where: short stacking energy: -82.868
Base-Backbone interact. energy: -0.008
local terms energy: -86.981466
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.144 (S_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: 280
Temperature: 1.200000
Total energy: -272.318900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.318900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.451033 (E_RNA)
where:
Base-Base interactions energy: -182.751
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.493
local terms energy: -89.207100
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -228.731632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.740805 (E_RNA)
where:
Base-Base interactions energy: -141.559
where: short stacking energy: -75.814
Base-Backbone interact. energy: -0.901
local terms energy: -86.280032
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.009 (S_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: -234.504922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.504922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.506715 (E_RNA)
where:
Base-Base interactions energy: -152.929
where: short stacking energy: -71.244
Base-Backbone interact. energy: -0.532
local terms energy: -81.046048
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -217.264398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.264398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.264398 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.475
local terms energy: -83.337737
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -341.978889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.978889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.224388 (E_RNA)
where:
Base-Base interactions energy: -230.318
where: short stacking energy: -114.620
Base-Backbone interact. energy: 0.553
local terms energy: -112.459758
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -35.608
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -325.718454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.718454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.090991 (E_RNA)
where:
Base-Base interactions energy: -220.163
where: short stacking energy: -105.455
Base-Backbone interact. energy: -0.151
local terms energy: -105.776429
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -26.558
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -330.787765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.787765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.825852 (E_RNA)
where:
Base-Base interactions energy: -213.140
where: short stacking energy: -100.650
Base-Backbone interact. energy: -0.005
local terms energy: -117.679970
where:
bonds (distance) C4'-P energy: -24.427
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -283.504800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.504800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.994959 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -86.651
Base-Backbone interact. energy: -0.344
local terms energy: -98.892987
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.490 (S_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: 281
Temperature: 1.100000
Total energy: -265.197342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.197342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.233497 (E_RNA)
where:
Base-Base interactions energy: -174.246
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.083
local terms energy: -90.905247
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.036 (S_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: 281
Temperature: 1.150000
Total energy: -255.686482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.686482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.986370 (E_RNA)
where:
Base-Base interactions energy: -159.239
where: short stacking energy: -80.576
Base-Backbone interact. energy: -0.998
local terms energy: -95.749536
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.300 (S_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: 281
Temperature: 1.200000
Total energy: -248.860026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.860026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.860026 (E_RNA)
where:
Base-Base interactions energy: -148.630
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.114
local terms energy: -100.116219
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -20.724
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: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -236.258649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.258649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.477115 (E_RNA)
where:
Base-Base interactions energy: -143.573
where: short stacking energy: -80.532
Base-Backbone interact. energy: 0.742
local terms energy: -93.646356
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -29.609
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -227.914925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.914925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.914925 (E_RNA)
where:
Base-Base interactions energy: -141.295
where: short stacking energy: -65.849
Base-Backbone interact. energy: 0.520
local terms energy: -87.140392
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -16.767
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -226.445669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.445669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.503329 (E_RNA)
where:
Base-Base interactions energy: -146.149
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.782
local terms energy: -79.571785
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -325.595502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.595502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.081832 (E_RNA)
where:
Base-Base interactions energy: -216.489
where: short stacking energy: -99.007
Base-Backbone interact. energy: -0.260
local terms energy: -109.333207
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -29.594
Dist. restrs. and SS energy: 0.486 (S_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: 282
Temperature: 0.950000
Total energy: -342.765714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.765714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.790647 (E_RNA)
where:
Base-Base interactions energy: -225.199
where: short stacking energy: -110.152
Base-Backbone interact. energy: -0.089
local terms energy: -117.502355
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -35.517
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -314.978161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.978161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.952324 (E_RNA)
where:
Base-Base interactions energy: -208.257
where: short stacking energy: -109.568
Base-Backbone interact. energy: -0.003
local terms energy: -108.692754
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -296.186248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.186248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.662189 (E_RNA)
where:
Base-Base interactions energy: -187.912
where: short stacking energy: -82.525
Base-Backbone interact. energy: -0.392
local terms energy: -108.357879
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.476 (S_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: 282
Temperature: 1.100000
Total energy: -272.850985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.850985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.875869 (E_RNA)
where:
Base-Base interactions energy: -177.703
where: short stacking energy: -85.175
Base-Backbone interact. energy: 0.943
local terms energy: -96.115599
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -264.098160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.098160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.203159 (E_RNA)
where:
Base-Base interactions energy: -175.033
where: short stacking energy: -79.278
Base-Backbone interact. energy: -0.625
local terms energy: -88.544977
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.105 (S_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: 282
Temperature: 1.200000
Total energy: -254.950916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.950916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.089174 (E_RNA)
where:
Base-Base interactions energy: -160.790
where: short stacking energy: -78.769
Base-Backbone interact. energy: -0.018
local terms energy: -94.281652
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.138 (S_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: -238.336888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.336888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.725576 (E_RNA)
where:
Base-Base interactions energy: -149.126
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.140
local terms energy: -89.460284
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -238.428422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.428422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.575301 (E_RNA)
where:
Base-Base interactions energy: -151.990
where: short stacking energy: -80.908
Base-Backbone interact. energy: -0.126
local terms energy: -86.459879
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -215.041026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.441654 (E_RNA)
where:
Base-Base interactions energy: -134.483
where: short stacking energy: -56.947
Base-Backbone interact. energy: 0.378
local terms energy: -81.337188
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -340.486982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.486982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.486982 (E_RNA)
where:
Base-Base interactions energy: -231.128
where: short stacking energy: -107.254
Base-Backbone interact. energy: 0.495
local terms energy: -109.853275
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -29.646
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: 283
Temperature: 0.950000
Total energy: -338.052324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.052324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.082033 (E_RNA)
where:
Base-Base interactions energy: -223.788
where: short stacking energy: -112.588
Base-Backbone interact. energy: -0.008
local terms energy: -114.286274
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -34.592
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -321.350786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.350786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.677407 (E_RNA)
where:
Base-Base interactions energy: -209.718
where: short stacking energy: -106.444
Base-Backbone interact. energy: 0.417
local terms energy: -112.376709
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.327 (S_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: 283
Temperature: 1.050000
Total energy: -283.688099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.688099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.975087 (E_RNA)
where:
Base-Base interactions energy: -185.115
where: short stacking energy: -85.893
Base-Backbone interact. energy: -0.197
local terms energy: -98.663183
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -283.643940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.643940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.690360 (E_RNA)
where:
Base-Base interactions energy: -188.521
where: short stacking energy: -88.271
Base-Backbone interact. energy: -0.068
local terms energy: -95.101753
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.046 (S_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: 283
Temperature: 1.150000
Total energy: -255.353057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.353057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.424764 (E_RNA)
where:
Base-Base interactions energy: -168.488
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.280
local terms energy: -86.657455
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.072 (S_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: 283
Temperature: 1.200000
Total energy: -266.904077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.904077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.044576 (E_RNA)
where:
Base-Base interactions energy: -164.120
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.319
local terms energy: -102.605889
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -25.452
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -259.106028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.106028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.135906 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.345
local terms energy: -93.063861
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.030 (S_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: 283
Temperature: 1.300000
Total energy: -213.508140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.508140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.537110 (E_RNA)
where:
Base-Base interactions energy: -137.617
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.069
local terms energy: -75.851224
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -183.870580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.870580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.885805 (E_RNA)
where:
Base-Base interactions energy: -119.327
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.442
local terms energy: -64.117410
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.015 (S_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: 284
Temperature: 0.900000
Total energy: -346.651183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.651183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.664062 (E_RNA)
where:
Base-Base interactions energy: -225.146
where: short stacking energy: -104.144
Base-Backbone interact. energy: -0.391
local terms energy: -121.127411
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -318.053012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.053012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.060402 (E_RNA)
where:
Base-Base interactions energy: -217.125
where: short stacking energy: -95.536
Base-Backbone interact. energy: -0.172
local terms energy: -100.763161
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -327.885844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.885844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.917861 (E_RNA)
where:
Base-Base interactions energy: -221.770
where: short stacking energy: -97.372
Base-Backbone interact. energy: -0.007
local terms energy: -106.140354
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -26.436
Dist. restrs. and SS energy: 0.032 (S_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: 284
Temperature: 1.050000
Total energy: -283.207684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.207684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.207684 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -88.598
Base-Backbone interact. energy: -0.094
local terms energy: -108.461439
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -280.983374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.983374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.226232 (E_RNA)
where:
Base-Base interactions energy: -180.830
where: short stacking energy: -86.252
Base-Backbone interact. energy: -0.123
local terms energy: -100.273408
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.243 (S_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: 284
Temperature: 1.150000
Total energy: -244.927866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.927866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.997063 (E_RNA)
where:
Base-Base interactions energy: -156.496
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.249
local terms energy: -88.252514
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.069 (S_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: 284
Temperature: 1.200000
Total energy: -245.157355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.157355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.443253 (E_RNA)
where:
Base-Base interactions energy: -152.327
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.229
local terms energy: -92.886456
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -26.628
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -244.588987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.588987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.651469 (E_RNA)
where:
Base-Base interactions energy: -152.376
where: short stacking energy: -68.057
Base-Backbone interact. energy: 0.047
local terms energy: -92.322287
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.062 (S_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: 284
Temperature: 1.300000
Total energy: -231.593095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.593095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.806949 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.048
local terms energy: -87.625571
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -215.021351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.021351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.170353 (E_RNA)
where:
Base-Base interactions energy: -153.875
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.363
local terms energy: -60.932153
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.149 (S_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: 285
Temperature: 0.900000
Total energy: -350.584972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.584972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.607095 (E_RNA)
where:
Base-Base interactions energy: -238.743
where: short stacking energy: -106.241
Base-Backbone interact. energy: -0.194
local terms energy: -111.669962
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -314.946408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.946408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.131352 (E_RNA)
where:
Base-Base interactions energy: -206.952
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.045
local terms energy: -109.134243
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -313.396615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.396615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.414896 (E_RNA)
where:
Base-Base interactions energy: -218.895
where: short stacking energy: -96.682
Base-Backbone interact. energy: -0.575
local terms energy: -93.944979
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -27.310
Dist. restrs. and SS energy: 0.018 (S_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: 285
Temperature: 1.050000
Total energy: -291.132390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.132390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.132390 (E_RNA)
where:
Base-Base interactions energy: -189.596
where: short stacking energy: -81.993
Base-Backbone interact. energy: -0.642
local terms energy: -100.894306
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -27.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -271.560842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.560842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.560842 (E_RNA)
where:
Base-Base interactions energy: -177.667
where: short stacking energy: -83.559
Base-Backbone interact. energy: -0.081
local terms energy: -93.812594
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -260.306923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.306923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.311707 (E_RNA)
where:
Base-Base interactions energy: -160.525
where: short stacking energy: -81.349
Base-Backbone interact. energy: -0.243
local terms energy: -99.543930
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -245.328796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.328796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.355589 (E_RNA)
where:
Base-Base interactions energy: -151.293
where: short stacking energy: -76.571
Base-Backbone interact. energy: 0.442
local terms energy: -94.504079
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.027 (S_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: -243.927483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.927483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.178712 (E_RNA)
where:
Base-Base interactions energy: -150.770
where: short stacking energy: -76.095
Base-Backbone interact. energy: -0.261
local terms energy: -93.148151
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -232.847496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.847496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.962739 (E_RNA)
where:
Base-Base interactions energy: -145.137
where: short stacking energy: -70.018
Base-Backbone interact. energy: 0.074
local terms energy: -87.900235
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -216.105111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.105111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.240155 (E_RNA)
where:
Base-Base interactions energy: -132.140
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.327
local terms energy: -83.772757
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.135 (S_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: 286
Temperature: 0.900000
Total energy: -346.109556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.109556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.109556 (E_RNA)
where:
Base-Base interactions energy: -235.231
where: short stacking energy: -110.497
Base-Backbone interact. energy: -0.157
local terms energy: -110.721629
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -336.100424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.100424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.104490 (E_RNA)
where:
Base-Base interactions energy: -228.929
where: short stacking energy: -99.855
Base-Backbone interact. energy: -0.483
local terms energy: -106.692393
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -29.871
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -315.262956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.262956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.317208 (E_RNA)
where:
Base-Base interactions energy: -221.787
where: short stacking energy: -104.200
Base-Backbone interact. energy: -0.040
local terms energy: -93.489647
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.054 (S_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: 286
Temperature: 1.050000
Total energy: -294.395151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.395151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.477838 (E_RNA)
where:
Base-Base interactions energy: -198.948
where: short stacking energy: -87.797
Base-Backbone interact. energy: -0.081
local terms energy: -95.448627
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.083 (S_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: 286
Temperature: 1.100000
Total energy: -263.115758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.115758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.210761 (E_RNA)
where:
Base-Base interactions energy: -169.959
where: short stacking energy: -77.275
Base-Backbone interact. energy: -0.273
local terms energy: -92.979725
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -253.555247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.555247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.755482 (E_RNA)
where:
Base-Base interactions energy: -157.512
where: short stacking energy: -89.440
Base-Backbone interact. energy: -0.092
local terms energy: -96.150496
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.200 (S_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: -257.027914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.027914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.084690 (E_RNA)
where:
Base-Base interactions energy: -166.751
where: short stacking energy: -76.866
Base-Backbone interact. energy: -0.139
local terms energy: -90.194805
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -258.078820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.078820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.354857 (E_RNA)
where:
Base-Base interactions energy: -165.366
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.210
local terms energy: -92.778441
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -216.089331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.089331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.264615 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.417
local terms energy: -81.386543
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -215.066392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.066392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.237119 (E_RNA)
where:
Base-Base interactions energy: -131.620
where: short stacking energy: -52.900
Base-Backbone interact. energy: -0.537
local terms energy: -83.079562
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.171 (S_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: 287
Temperature: 0.900000
Total energy: -342.906204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.906204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.907675 (E_RNA)
where:
Base-Base interactions energy: -230.254
where: short stacking energy: -110.542
Base-Backbone interact. energy: -0.180
local terms energy: -112.473718
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -33.846
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -332.111079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.111079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.147918 (E_RNA)
where:
Base-Base interactions energy: -219.288
where: short stacking energy: -104.831
Base-Backbone interact. energy: -0.399
local terms energy: -112.461134
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -32.368
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -313.194645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.194645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.290766 (E_RNA)
where:
Base-Base interactions energy: -216.147
where: short stacking energy: -97.934
Base-Backbone interact. energy: -0.132
local terms energy: -97.012198
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.096 (S_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: 287
Temperature: 1.050000
Total energy: -267.891253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.891253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.952008 (E_RNA)
where:
Base-Base interactions energy: -178.097
where: short stacking energy: -83.523
Base-Backbone interact. energy: -0.273
local terms energy: -89.581824
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.061 (S_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: 287
Temperature: 1.100000
Total energy: -281.238235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.238235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.442562 (E_RNA)
where:
Base-Base interactions energy: -173.252
where: short stacking energy: -89.035
Base-Backbone interact. energy: -0.634
local terms energy: -108.556913
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 1.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -258.671066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.671066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.716718 (E_RNA)
where:
Base-Base interactions energy: -166.164
where: short stacking energy: -77.431
Base-Backbone interact. energy: -0.300
local terms energy: -92.252167
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.046 (S_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: -243.841475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.841475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.921237 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.002
local terms energy: -93.013486
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -29.041
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -254.534339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.534339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.873669 (E_RNA)
where:
Base-Base interactions energy: -159.997
where: short stacking energy: -78.509
Base-Backbone interact. energy: -0.042
local terms energy: -94.834301
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -199.775471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.106039 (E_RNA)
where:
Base-Base interactions energy: -119.692
where: short stacking energy: -51.166
Base-Backbone interact. energy: 0.768
local terms energy: -81.181671
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -225.962884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.962884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.976061 (E_RNA)
where:
Base-Base interactions energy: -137.073
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.768
local terms energy: -88.134556
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.013 (S_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: 288
Temperature: 0.900000
Total energy: -345.311301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.311301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.386724 (E_RNA)
where:
Base-Base interactions energy: -231.432
where: short stacking energy: -105.886
Base-Backbone interact. energy: -0.346
local terms energy: -113.609342
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -32.290
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -333.115724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.115724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.163650 (E_RNA)
where:
Base-Base interactions energy: -218.679
where: short stacking energy: -105.295
Base-Backbone interact. energy: 0.013
local terms energy: -114.497668
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -26.048
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -317.281722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.281722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.618165 (E_RNA)
where:
Base-Base interactions energy: -213.922
where: short stacking energy: -86.377
Base-Backbone interact. energy: -0.405
local terms energy: -103.291514
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -24.011
Dist. restrs. and SS energy: 0.336 (S_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: 288
Temperature: 1.050000
Total energy: -307.849871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.849871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.861654 (E_RNA)
where:
Base-Base interactions energy: -209.879
where: short stacking energy: -94.939
Base-Backbone interact. energy: -0.137
local terms energy: -97.844947
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 0.012 (S_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: 288
Temperature: 1.100000
Total energy: -264.283263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.283263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.496136 (E_RNA)
where:
Base-Base interactions energy: -156.132
where: short stacking energy: -83.720
Base-Backbone interact. energy: -0.327
local terms energy: -108.037567
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.213 (S_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: 288
Temperature: 1.150000
Total energy: -265.048123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.048123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.314226 (E_RNA)
where:
Base-Base interactions energy: -175.445
where: short stacking energy: -80.552
Base-Backbone interact. energy: -0.089
local terms energy: -90.780206
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 1.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -263.092603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.092603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.116749 (E_RNA)
where:
Base-Base interactions energy: -171.108
where: short stacking energy: -82.823
Base-Backbone interact. energy: -0.165
local terms energy: -91.844182
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.024 (S_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: 288
Temperature: 1.250000
Total energy: -252.779691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.779691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.828111 (E_RNA)
where:
Base-Base interactions energy: -160.950
where: short stacking energy: -78.330
Base-Backbone interact. energy: 0.291
local terms energy: -92.169290
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -222.813942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.813942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821807 (E_RNA)
where:
Base-Base interactions energy: -146.772
where: short stacking energy: -65.841
Base-Backbone interact. energy: -0.460
local terms energy: -75.589376
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -186.377924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559635 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.609
local terms energy: -56.679001
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.182 (S_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: 289
Temperature: 0.900000
Total energy: -341.507747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.507747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.522617 (E_RNA)
where:
Base-Base interactions energy: -223.171
where: short stacking energy: -112.637
Base-Backbone interact. energy: -0.592
local terms energy: -117.759011
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -36.068
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -335.680164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.680164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.680164 (E_RNA)
where:
Base-Base interactions energy: -228.111
where: short stacking energy: -108.988
Base-Backbone interact. energy: -0.039
local terms energy: -107.530078
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -29.344
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: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -311.039335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.039335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.139126 (E_RNA)
where:
Base-Base interactions energy: -210.041
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.114
local terms energy: -100.984424
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.100 (S_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: 289
Temperature: 1.050000
Total energy: -266.804988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.804988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.820121 (E_RNA)
where:
Base-Base interactions energy: -164.382
where: short stacking energy: -80.431
Base-Backbone interact. energy: -0.056
local terms energy: -102.382880
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -323.131136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.131136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.269339 (E_RNA)
where:
Base-Base interactions energy: -213.649
where: short stacking energy: -105.415
Base-Backbone interact. energy: -0.142
local terms energy: -109.478028
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -30.679
Dist. restrs. and SS energy: 0.138 (S_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: 289
Temperature: 1.150000
Total energy: -273.668514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.668514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.673950 (E_RNA)
where:
Base-Base interactions energy: -183.114
where: short stacking energy: -83.187
Base-Backbone interact. energy: -0.245
local terms energy: -90.315063
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -248.250120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.250120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.275644 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -71.764
Base-Backbone interact. energy: -0.244
local terms energy: -96.503704
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.026 (S_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: 289
Temperature: 1.250000
Total energy: -246.275937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.275937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.290409 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -81.739
Base-Backbone interact. energy: -0.645
local terms energy: -88.630816
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -219.593225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.593225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.669276 (E_RNA)
where:
Base-Base interactions energy: -141.987
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.857
local terms energy: -76.824641
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -214.438994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.674375 (E_RNA)
where:
Base-Base interactions energy: -134.303
where: short stacking energy: -73.293
Base-Backbone interact. energy: -0.736
local terms energy: -79.636213
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.235 (S_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: 290
Temperature: 0.900000
Total energy: -344.777160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.777160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.806263 (E_RNA)
where:
Base-Base interactions energy: -227.139
where: short stacking energy: -109.361
Base-Backbone interact. energy: -0.101
local terms energy: -117.566085
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -32.765
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -328.604481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.604481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.673674 (E_RNA)
where:
Base-Base interactions energy: -217.447
where: short stacking energy: -109.460
Base-Backbone interact. energy: -0.101
local terms energy: -111.125582
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -31.436
Dist. restrs. and SS energy: 0.069 (S_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: -291.447358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.447358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.484702 (E_RNA)
where:
Base-Base interactions energy: -189.341
where: short stacking energy: -99.195
Base-Backbone interact. energy: -0.015
local terms energy: -102.128963
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.037 (S_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: 290
Temperature: 1.050000
Total energy: -320.083661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.083661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.348283 (E_RNA)
where:
Base-Base interactions energy: -213.889
where: short stacking energy: -97.424
Base-Backbone interact. energy: -0.905
local terms energy: -106.553473
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -29.371
Dist. restrs. and SS energy: 1.265 (S_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: 290
Temperature: 1.100000
Total energy: -297.984632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.984632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.067443 (E_RNA)
where:
Base-Base interactions energy: -200.266
where: short stacking energy: -87.053
Base-Backbone interact. energy: -0.344
local terms energy: -98.457925
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 1.083 (S_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: 290
Temperature: 1.150000
Total energy: -286.458229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.458229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.458229 (E_RNA)
where:
Base-Base interactions energy: -185.473
where: short stacking energy: -84.416
Base-Backbone interact. energy: -0.928
local terms energy: -100.057262
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -237.197312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.197312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.332372 (E_RNA)
where:
Base-Base interactions energy: -144.951
where: short stacking energy: -69.393
Base-Backbone interact. energy: -0.007
local terms energy: -92.374175
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.135 (S_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: -248.649109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.649109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.649109 (E_RNA)
where:
Base-Base interactions energy: -153.993
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.076
local terms energy: -94.580030
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -214.642205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.682494 (E_RNA)
where:
Base-Base interactions energy: -139.059
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.463
local terms energy: -75.160680
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -214.274056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.274056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420867 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.483
local terms energy: -72.983854
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.147 (S_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: 291
Temperature: 0.900000
Total energy: -342.532866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.532866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.532866 (E_RNA)
where:
Base-Base interactions energy: -234.136
where: short stacking energy: -109.303
Base-Backbone interact. energy: -0.054
local terms energy: -108.343045
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -28.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -343.145011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.145011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.183290 (E_RNA)
where:
Base-Base interactions energy: -234.706
where: short stacking energy: -108.834
Base-Backbone interact. energy: -0.005
local terms energy: -108.472655
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.038 (S_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: -296.890211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.890211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.054898 (E_RNA)
where:
Base-Base interactions energy: -199.237
where: short stacking energy: -91.877
Base-Backbone interact. energy: -0.097
local terms energy: -97.721284
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.165 (S_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: 291
Temperature: 1.050000
Total energy: -313.640868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.640868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.767458 (E_RNA)
where:
Base-Base interactions energy: -219.708
where: short stacking energy: -89.037
Base-Backbone interact. energy: -0.211
local terms energy: -93.848241
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.127 (S_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: 291
Temperature: 1.100000
Total energy: -303.049453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.049453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.187390 (E_RNA)
where:
Base-Base interactions energy: -206.990
where: short stacking energy: -102.789
Base-Backbone interact. energy: 2.868
local terms energy: -99.065846
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 0.138 (S_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: 291
Temperature: 1.150000
Total energy: -298.123643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.123643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.595891 (E_RNA)
where:
Base-Base interactions energy: -201.761
where: short stacking energy: -87.959
Base-Backbone interact. energy: 0.524
local terms energy: -97.359103
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -244.707826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.707826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.773138 (E_RNA)
where:
Base-Base interactions energy: -150.057
where: short stacking energy: -74.678
Base-Backbone interact. energy: -0.535
local terms energy: -94.181665
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -224.406747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.406747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.528895 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.310
local terms energy: -68.282529
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.122 (S_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: 291
Temperature: 1.300000
Total energy: -220.510687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.510687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.510687 (E_RNA)
where:
Base-Base interactions energy: -138.070
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.079
local terms energy: -82.361488
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -200.241642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.272940 (E_RNA)
where:
Base-Base interactions energy: -121.532
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.413
local terms energy: -78.328388
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.031 (S_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: 292
Temperature: 0.900000
Total energy: -343.611338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.611338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.611338 (E_RNA)
where:
Base-Base interactions energy: -228.617
where: short stacking energy: -105.750
Base-Backbone interact. energy: -0.007
local terms energy: -114.987535
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -33.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -331.599857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.599857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.817847 (E_RNA)
where:
Base-Base interactions energy: -217.924
where: short stacking energy: -101.103
Base-Backbone interact. energy: -0.005
local terms energy: -113.888447
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -32.880
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -315.103503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.103503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.127660 (E_RNA)
where:
Base-Base interactions energy: -209.724
where: short stacking energy: -96.271
Base-Backbone interact. energy: -0.298
local terms energy: -105.105256
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.024 (S_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: 292
Temperature: 1.050000
Total energy: -300.164591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.164591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.325143 (E_RNA)
where:
Base-Base interactions energy: -200.431
where: short stacking energy: -92.337
Base-Backbone interact. energy: 0.569
local terms energy: -100.463032
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: 0.161 (S_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: 292
Temperature: 1.100000
Total energy: -301.880556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.880556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.077563 (E_RNA)
where:
Base-Base interactions energy: -194.984
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.139
local terms energy: -106.954262
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -30.063
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -273.564704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.564704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.927078 (E_RNA)
where:
Base-Base interactions energy: -174.062
where: short stacking energy: -78.294
Base-Backbone interact. energy: -0.223
local terms energy: -99.641397
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -253.380691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.380691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.512686 (E_RNA)
where:
Base-Base interactions energy: -165.037
where: short stacking energy: -78.398
Base-Backbone interact. energy: 0.278
local terms energy: -88.753964
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -225.592347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.592347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.724217 (E_RNA)
where:
Base-Base interactions energy: -146.532
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.968
local terms energy: -78.224400
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -211.211626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.211626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.313685 (E_RNA)
where:
Base-Base interactions energy: -129.326
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.061
local terms energy: -81.927027
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.102 (S_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: 292
Temperature: 1.350000
Total energy: -218.818277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.818277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.830262 (E_RNA)
where:
Base-Base interactions energy: -140.096
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.265
local terms energy: -78.469145
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.012 (S_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: 293
Temperature: 0.900000
Total energy: -343.086647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.086647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.158052 (E_RNA)
where:
Base-Base interactions energy: -228.653
where: short stacking energy: -112.895
Base-Backbone interact. energy: -0.034
local terms energy: -114.471706
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -329.890074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.890074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.893846 (E_RNA)
where:
Base-Base interactions energy: -223.908
where: short stacking energy: -90.439
Base-Backbone interact. energy: -0.199
local terms energy: -105.786998
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -315.453178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.453178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.641510 (E_RNA)
where:
Base-Base interactions energy: -204.471
where: short stacking energy: -100.733
Base-Backbone interact. energy: -0.005
local terms energy: -111.164665
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -32.118
Dist. restrs. and SS energy: 0.188 (S_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: 293
Temperature: 1.050000
Total energy: -319.285249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.285249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.351701 (E_RNA)
where:
Base-Base interactions energy: -217.723
where: short stacking energy: -96.665
Base-Backbone interact. energy: -0.152
local terms energy: -101.476253
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -26.827
Dist. restrs. and SS energy: 0.066 (S_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: 293
Temperature: 1.100000
Total energy: -294.308044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.308044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.443030 (E_RNA)
where:
Base-Base interactions energy: -193.716
where: short stacking energy: -82.666
Base-Backbone interact. energy: 0.759
local terms energy: -101.486262
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.135 (S_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: 293
Temperature: 1.150000
Total energy: -260.967505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.967505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.988388 (E_RNA)
where:
Base-Base interactions energy: -158.505
where: short stacking energy: -80.233
Base-Backbone interact. energy: -0.587
local terms energy: -101.896031
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -234.090554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.090554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.311699 (E_RNA)
where:
Base-Base interactions energy: -157.057
where: short stacking energy: -80.157
Base-Backbone interact. energy: -0.046
local terms energy: -77.208764
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -241.373521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.373521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.378712 (E_RNA)
where:
Base-Base interactions energy: -152.701
where: short stacking energy: -80.703
Base-Backbone interact. energy: -0.034
local terms energy: -88.643364
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -222.012108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.085631 (E_RNA)
where:
Base-Base interactions energy: -136.431
where: short stacking energy: -65.349
Base-Backbone interact. energy: -0.408
local terms energy: -85.246516
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.074 (S_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: 293
Temperature: 1.350000
Total energy: -233.984946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.984946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.312342 (E_RNA)
where:
Base-Base interactions energy: -147.830
where: short stacking energy: -73.014
Base-Backbone interact. energy: 2.377
local terms energy: -88.859827
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.327 (S_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: -336.281378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.281378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.450920 (E_RNA)
where:
Base-Base interactions energy: -231.398
where: short stacking energy: -102.267
Base-Backbone interact. energy: -0.278
local terms energy: -104.775226
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.170 (S_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: 294
Temperature: 0.950000
Total energy: -337.165651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.165651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.277853 (E_RNA)
where:
Base-Base interactions energy: -214.456
where: short stacking energy: -107.707
Base-Backbone interact. energy: -0.022
local terms energy: -122.799932
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -33.964
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -310.855369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.855369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.854783 (E_RNA)
where:
Base-Base interactions energy: -206.093
where: short stacking energy: -96.393
Base-Backbone interact. energy: -0.023
local terms energy: -105.738137
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.999 (S_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: 294
Temperature: 1.050000
Total energy: -265.355068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.355068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.361035 (E_RNA)
where:
Base-Base interactions energy: -167.018
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.114
local terms energy: -98.229541
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.006 (S_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: 294
Temperature: 1.100000
Total energy: -278.069749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.069749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.188865 (E_RNA)
where:
Base-Base interactions energy: -176.698
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.108
local terms energy: -101.382463
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.119 (S_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: 294
Temperature: 1.150000
Total energy: -230.704933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.704933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.346238 (E_RNA)
where:
Base-Base interactions energy: -150.457
where: short stacking energy: -71.551
Base-Backbone interact. energy: -0.208
local terms energy: -80.682212
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -240.993787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.993787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.002267 (E_RNA)
where:
Base-Base interactions energy: -155.483
where: short stacking energy: -68.438
Base-Backbone interact. energy: 1.008
local terms energy: -86.527440
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -232.189344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.189344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.446606 (E_RNA)
where:
Base-Base interactions energy: -157.227
where: short stacking energy: -66.070
Base-Backbone interact. energy: -0.145
local terms energy: -75.075223
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.257 (S_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: 294
Temperature: 1.300000
Total energy: -234.325147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.325147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.334403 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.454
local terms energy: -88.695647
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -226.759096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.759096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.894201 (E_RNA)
where:
Base-Base interactions energy: -141.406
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.129
local terms energy: -85.358930
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.135 (S_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: -337.164402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.164402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.184292 (E_RNA)
where:
Base-Base interactions energy: -222.168
where: short stacking energy: -104.853
Base-Backbone interact. energy: -0.373
local terms energy: -114.644046
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.020 (S_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: 295
Temperature: 0.950000
Total energy: -334.352293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.352293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.510196 (E_RNA)
where:
Base-Base interactions energy: -222.899
where: short stacking energy: -108.638
Base-Backbone interact. energy: -0.032
local terms energy: -111.579832
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -33.368
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -309.762184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.762184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.979036 (E_RNA)
where:
Base-Base interactions energy: -206.071
where: short stacking energy: -104.331
Base-Backbone interact. energy: -0.198
local terms energy: -104.710392
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -29.555
Dist. restrs. and SS energy: 1.217 (S_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: 295
Temperature: 1.050000
Total energy: -282.056018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.056018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.133388 (E_RNA)
where:
Base-Base interactions energy: -183.133
where: short stacking energy: -92.461
Base-Backbone interact. energy: 0.614
local terms energy: -99.614645
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.077 (S_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: 295
Temperature: 1.100000
Total energy: -271.445128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.633861 (E_RNA)
where:
Base-Base interactions energy: -168.725
where: short stacking energy: -84.001
Base-Backbone interact. energy: -1.012
local terms energy: -101.896512
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -257.299932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.299932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.304985 (E_RNA)
where:
Base-Base interactions energy: -164.076
where: short stacking energy: -76.144
Base-Backbone interact. energy: -0.297
local terms energy: -92.931491
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -244.425775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.425775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.448753 (E_RNA)
where:
Base-Base interactions energy: -160.475
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.134
local terms energy: -83.839695
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.023 (S_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: -236.807553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.807553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.134733 (E_RNA)
where:
Base-Base interactions energy: -159.707
where: short stacking energy: -83.622
Base-Backbone interact. energy: -1.031
local terms energy: -76.396866
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -251.444370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.444370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.572390 (E_RNA)
where:
Base-Base interactions energy: -161.555
where: short stacking energy: -78.700
Base-Backbone interact. energy: -0.049
local terms energy: -89.968220
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -214.800910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.800910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.861251 (E_RNA)
where:
Base-Base interactions energy: -141.417
where: short stacking energy: -71.157
Base-Backbone interact. energy: 0.735
local terms energy: -74.179317
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.060 (S_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: -342.538435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.538435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.538435 (E_RNA)
where:
Base-Base interactions energy: -230.502
where: short stacking energy: -102.340
Base-Backbone interact. energy: -0.365
local terms energy: -111.670921
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -27.876
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -342.839034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.839034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.936120 (E_RNA)
where:
Base-Base interactions energy: -226.728
where: short stacking energy: -102.894
Base-Backbone interact. energy: -0.541
local terms energy: -115.666537
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -32.812
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -316.029174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.029174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.467812 (E_RNA)
where:
Base-Base interactions energy: -211.104
where: short stacking energy: -94.734
Base-Backbone interact. energy: -0.592
local terms energy: -104.772115
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -28.670
Dist. restrs. and SS energy: 0.439 (S_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: 296
Temperature: 1.050000
Total energy: -275.514589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.514589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.716971 (E_RNA)
where:
Base-Base interactions energy: -183.277
where: short stacking energy: -90.463
Base-Backbone interact. energy: -0.068
local terms energy: -92.372390
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -262.321006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.321006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.367958 (E_RNA)
where:
Base-Base interactions energy: -159.327
where: short stacking energy: -84.730
Base-Backbone interact. energy: -0.068
local terms energy: -102.973278
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.047 (S_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: -252.712417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.712417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.815682 (E_RNA)
where:
Base-Base interactions energy: -159.179
where: short stacking energy: -75.138
Base-Backbone interact. energy: -0.259
local terms energy: -93.377195
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -260.296402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.296402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.555185 (E_RNA)
where:
Base-Base interactions energy: -164.670
where: short stacking energy: -87.289
Base-Backbone interact. energy: -0.417
local terms energy: -95.468048
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.259 (S_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: -247.018173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.018173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.027139 (E_RNA)
where:
Base-Base interactions energy: -154.519
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.370
local terms energy: -92.137642
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -232.435796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.435796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.617824 (E_RNA)
where:
Base-Base interactions energy: -146.086
where: short stacking energy: -71.559
Base-Backbone interact. energy: 0.066
local terms energy: -86.598389
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -236.413698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.413698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.466577 (E_RNA)
where:
Base-Base interactions energy: -151.227
where: short stacking energy: -78.670
Base-Backbone interact. energy: -0.238
local terms energy: -85.001252
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.053 (S_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: -341.950826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.959390 (E_RNA)
where:
Base-Base interactions energy: -229.987
where: short stacking energy: -103.075
Base-Backbone interact. energy: -0.042
local terms energy: -111.931039
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -27.382
Dist. restrs. and SS energy: 0.009 (S_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: 297
Temperature: 0.950000
Total energy: -342.243307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.243307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.253495 (E_RNA)
where:
Base-Base interactions energy: -227.172
where: short stacking energy: -117.384
Base-Backbone interact. energy: -0.622
local terms energy: -114.460155
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -33.748
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -321.249933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.249933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.272577 (E_RNA)
where:
Base-Base interactions energy: -210.615
where: short stacking energy: -94.104
Base-Backbone interact. energy: 1.072
local terms energy: -111.729546
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -289.001338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.001338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.051893 (E_RNA)
where:
Base-Base interactions energy: -181.308
where: short stacking energy: -100.090
Base-Backbone interact. energy: -0.017
local terms energy: -107.726561
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -28.935
Dist. restrs. and SS energy: 0.051 (S_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: 297
Temperature: 1.100000
Total energy: -272.248845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.248845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.275854 (E_RNA)
where:
Base-Base interactions energy: -178.312
where: short stacking energy: -80.430
Base-Backbone interact. energy: -0.216
local terms energy: -93.748156
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.027 (S_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: 297
Temperature: 1.150000
Total energy: -269.399210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.399210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.440769 (E_RNA)
where:
Base-Base interactions energy: -170.862
where: short stacking energy: -85.662
Base-Backbone interact. energy: -0.118
local terms energy: -98.460800
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.042 (S_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: 297
Temperature: 1.200000
Total energy: -258.417108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.417108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.609782 (E_RNA)
where:
Base-Base interactions energy: -169.047
where: short stacking energy: -72.456
Base-Backbone interact. energy: -0.315
local terms energy: -89.247972
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.193 (S_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: -249.447383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.447383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.612957 (E_RNA)
where:
Base-Base interactions energy: -166.364
where: short stacking energy: -88.112
Base-Backbone interact. energy: 0.487
local terms energy: -83.735863
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -232.021406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.021406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576943 (E_RNA)
where:
Base-Base interactions energy: -151.316
where: short stacking energy: -69.255
Base-Backbone interact. energy: 0.312
local terms energy: -81.572467
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -226.271751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.279766 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.226
local terms energy: -74.706985
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.008 (S_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: 298
Temperature: 0.900000
Total energy: -339.907282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.907282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.939001 (E_RNA)
where:
Base-Base interactions energy: -223.213
where: short stacking energy: -112.662
Base-Backbone interact. energy: -0.192
local terms energy: -116.534215
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -33.709
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. 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: -332.638699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.638699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.638699 (E_RNA)
where:
Base-Base interactions energy: -217.045
where: short stacking energy: -108.074
Base-Backbone interact. energy: -0.131
local terms energy: -115.463426
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -17.355
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: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -311.672954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.672954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.826136 (E_RNA)
where:
Base-Base interactions energy: -200.093
where: short stacking energy: -92.983
Base-Backbone interact. energy: -0.065
local terms energy: -111.667379
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -284.602598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.602598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.734188 (E_RNA)
where:
Base-Base interactions energy: -186.999
where: short stacking energy: -86.961
Base-Backbone interact. energy: 0.991
local terms energy: -98.726493
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.132 (S_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: 298
Temperature: 1.100000
Total energy: -256.002381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.002381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.007183 (E_RNA)
where:
Base-Base interactions energy: -155.215
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.177
local terms energy: -100.615498
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.005 (S_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: 298
Temperature: 1.150000
Total energy: -256.941716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.941716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.033885 (E_RNA)
where:
Base-Base interactions energy: -169.276
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.887
local terms energy: -86.870943
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.092 (S_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: 298
Temperature: 1.200000
Total energy: -233.480860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.528364 (E_RNA)
where:
Base-Base interactions energy: -161.216
where: short stacking energy: -75.089
Base-Backbone interact. energy: 0.444
local terms energy: -72.756452
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.048 (S_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: 298
Temperature: 1.250000
Total energy: -242.323843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.323843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.356470 (E_RNA)
where:
Base-Base interactions energy: -158.909
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.248
local terms energy: -83.199343
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -238.787079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.787079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.858570 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -60.833
Base-Backbone interact. energy: 1.521
local terms energy: -86.087310
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -208.939629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.939629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.052455 (E_RNA)
where:
Base-Base interactions energy: -130.036
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.167
local terms energy: -78.849456
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.113 (S_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: 299
Temperature: 0.900000
Total energy: -341.631235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.631235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.685735 (E_RNA)
where:
Base-Base interactions energy: -226.164
where: short stacking energy: -107.345
Base-Backbone interact. energy: -0.028
local terms energy: -115.493907
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -32.194
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -329.947189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.947189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.957144 (E_RNA)
where:
Base-Base interactions energy: -221.942
where: short stacking energy: -97.289
Base-Backbone interact. energy: 0.783
local terms energy: -109.797772
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -29.956
Dist. restrs. and SS energy: 1.010 (S_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: 299
Temperature: 1.000000
Total energy: -319.581439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.581439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.742827 (E_RNA)
where:
Base-Base interactions energy: -213.117
where: short stacking energy: -97.582
Base-Backbone interact. energy: -0.228
local terms energy: -106.398671
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -29.906
Dist. restrs. and SS energy: 0.161 (S_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: 299
Temperature: 1.050000
Total energy: -293.624901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.624901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.804690 (E_RNA)
where:
Base-Base interactions energy: -182.113
where: short stacking energy: -95.124
Base-Backbone interact. energy: -0.063
local terms energy: -111.628802
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -30.680
Dist. restrs. and SS energy: 0.180 (S_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: 299
Temperature: 1.100000
Total energy: -258.255302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.255302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.628496 (E_RNA)
where:
Base-Base interactions energy: -156.388
where: short stacking energy: -75.537
Base-Backbone interact. energy: 0.787
local terms energy: -103.027017
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.373 (S_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: -249.003784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.003784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.040938 (E_RNA)
where:
Base-Base interactions energy: -156.759
where: short stacking energy: -78.089
Base-Backbone interact. energy: -0.270
local terms energy: -92.011677
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.037 (S_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: 299
Temperature: 1.200000
Total energy: -259.581526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.581526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.661950 (E_RNA)
where:
Base-Base interactions energy: -174.185
where: short stacking energy: -75.007
Base-Backbone interact. energy: -0.090
local terms energy: -85.386369
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -238.390225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.390225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.481065 (E_RNA)
where:
Base-Base interactions energy: -147.523
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.214
local terms energy: -90.743826
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.091 (S_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: 299
Temperature: 1.300000
Total energy: -258.611174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.611174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.721219 (E_RNA)
where:
Base-Base interactions energy: -168.160
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.618
local terms energy: -89.942856
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -217.415158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.415158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.497930 (E_RNA)
where:
Base-Base interactions energy: -132.591
where: short stacking energy: -66.686
Base-Backbone interact. energy: -0.107
local terms energy: -84.800150
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -335.125576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.125576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.147463 (E_RNA)
where:
Base-Base interactions energy: -220.824
where: short stacking energy: -104.653
Base-Backbone interact. energy: 1.037
local terms energy: -115.360320
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -31.133
Dist. restrs. and SS energy: 0.022 (S_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: 300
Temperature: 0.950000
Total energy: -324.455922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.455922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.741088 (E_RNA)
where:
Base-Base interactions energy: -211.437
where: short stacking energy: -98.947
Base-Backbone interact. energy: -0.194
local terms energy: -113.110273
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -26.777
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -318.378224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.378224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.517792 (E_RNA)
where:
Base-Base interactions energy: -209.033
where: short stacking energy: -100.208
Base-Backbone interact. energy: -0.926
local terms energy: -108.557976
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -317.074748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.074748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.214343 (E_RNA)
where:
Base-Base interactions energy: -202.989
where: short stacking energy: -97.563
Base-Backbone interact. energy: -0.180
local terms energy: -114.045835
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.140 (S_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: 300
Temperature: 1.100000
Total energy: -261.215993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.215993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.236837 (E_RNA)
where:
Base-Base interactions energy: -158.788
where: short stacking energy: -81.629
Base-Backbone interact. energy: 1.038
local terms energy: -103.486519
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.021 (S_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: 300
Temperature: 1.150000
Total energy: -267.827440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.827440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.943483 (E_RNA)
where:
Base-Base interactions energy: -169.211
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.036
local terms energy: -98.696071
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -22.781
Dist. restrs. and SS energy: 0.116 (S_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: 300
Temperature: 1.200000
Total energy: -230.870053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.870053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.082745 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -56.554
Base-Backbone interact. energy: -0.290
local terms energy: -89.967867
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -273.689920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.689920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.811836 (E_RNA)
where:
Base-Base interactions energy: -180.717
where: short stacking energy: -76.567
Base-Backbone interact. energy: -0.205
local terms energy: -92.889557
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -226.533301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.533301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.602518 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -69.087
Base-Backbone interact. energy: -0.817
local terms energy: -77.426300
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.069 (S_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: 300
Temperature: 1.350000
Total energy: -227.854037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.854037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.907928 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -74.913
Base-Backbone interact. energy: -0.163
local terms energy: -78.670940
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -338.456834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.456834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.456834 (E_RNA)
where:
Base-Base interactions energy: -228.245
where: short stacking energy: -98.728
Base-Backbone interact. energy: -0.355
local terms energy: -109.856851
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -28.809
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -344.747288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.747288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.869663 (E_RNA)
where:
Base-Base interactions energy: -232.010
where: short stacking energy: -102.967
Base-Backbone interact. energy: -0.139
local terms energy: -112.720122
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -322.440756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.440756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.469185 (E_RNA)
where:
Base-Base interactions energy: -212.075
where: short stacking energy: -106.351
Base-Backbone interact. energy: -0.165
local terms energy: -110.229482
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -28.627
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -311.804638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.804638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.875968 (E_RNA)
where:
Base-Base interactions energy: -207.165
where: short stacking energy: -93.818
Base-Backbone interact. energy: -0.025
local terms energy: -104.686127
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.071 (S_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: 301
Temperature: 1.100000
Total energy: -266.903382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.903382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.936995 (E_RNA)
where:
Base-Base interactions energy: -175.143
where: short stacking energy: -84.791
Base-Backbone interact. energy: -0.093
local terms energy: -91.701628
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.034 (S_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: 301
Temperature: 1.150000
Total energy: -262.987582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.987582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.011544 (E_RNA)
where:
Base-Base interactions energy: -162.754
where: short stacking energy: -86.013
Base-Backbone interact. energy: -0.236
local terms energy: -100.022142
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.024 (S_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: 301
Temperature: 1.200000
Total energy: -241.655955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.655955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.655955 (E_RNA)
where:
Base-Base interactions energy: -161.949
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.281
local terms energy: -79.425851
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -255.745926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.745926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.849303 (E_RNA)
where:
Base-Base interactions energy: -167.411
where: short stacking energy: -81.132
Base-Backbone interact. energy: -0.067
local terms energy: -88.371048
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -221.684192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.684192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.805339 (E_RNA)
where:
Base-Base interactions energy: -142.562
where: short stacking energy: -68.968
Base-Backbone interact. energy: -0.214
local terms energy: -79.029203
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.121 (S_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: 301
Temperature: 1.350000
Total energy: -228.480155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.480155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.548798 (E_RNA)
where:
Base-Base interactions energy: -147.319
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.282
local terms energy: -80.948072
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.069 (S_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: 302
Temperature: 0.900000
Total energy: -349.261219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.261219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.279978 (E_RNA)
where:
Base-Base interactions energy: -232.016
where: short stacking energy: -107.005
Base-Backbone interact. energy: -0.246
local terms energy: -117.018375
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -34.063
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -337.728103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.728103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.728103 (E_RNA)
where:
Base-Base interactions energy: -229.656
where: short stacking energy: -107.277
Base-Backbone interact. energy: 1.011
local terms energy: -109.083745
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -25.754
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -30.156
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: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -332.060095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.060095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.060095 (E_RNA)
where:
Base-Base interactions energy: -222.525
where: short stacking energy: -95.379
Base-Backbone interact. energy: -0.547
local terms energy: -108.987574
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -15.854
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -321.719828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.719828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.741430 (E_RNA)
where:
Base-Base interactions energy: -220.283
where: short stacking energy: -111.229
Base-Backbone interact. energy: -0.104
local terms energy: -101.355034
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -32.247
Dist. restrs. and SS energy: 0.022 (S_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: 302
Temperature: 1.100000
Total energy: -260.662753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.662753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.662753 (E_RNA)
where:
Base-Base interactions energy: -155.367
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.831
local terms energy: -104.464949
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -19.161
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: 302
Temperature: 1.150000
Total energy: -250.053850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.053850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.249377 (E_RNA)
where:
Base-Base interactions energy: -160.345
where: short stacking energy: -69.590
Base-Backbone interact. energy: -0.272
local terms energy: -89.632495
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.196 (S_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: 302
Temperature: 1.200000
Total energy: -238.002475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.002475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.014918 (E_RNA)
where:
Base-Base interactions energy: -153.295
where: short stacking energy: -76.589
Base-Backbone interact. energy: -0.135
local terms energy: -84.584993
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -250.332221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.332221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.421344 (E_RNA)
where:
Base-Base interactions energy: -163.938
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.110
local terms energy: -86.373780
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -226.190837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.190837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.474811 (E_RNA)
where:
Base-Base interactions energy: -144.131
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.353
local terms energy: -81.990631
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.284 (S_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: 302
Temperature: 1.350000
Total energy: -204.093997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.093997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.161620 (E_RNA)
where:
Base-Base interactions energy: -137.377
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.177
local terms energy: -66.608076
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.068 (S_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: 303
Temperature: 0.900000
Total energy: -338.538330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.538330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.538330 (E_RNA)
where:
Base-Base interactions energy: -226.178
where: short stacking energy: -108.090
Base-Backbone interact. energy: -0.668
local terms energy: -111.693043
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -335.454083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.454083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.777860 (E_RNA)
where:
Base-Base interactions energy: -232.253
where: short stacking energy: -102.949
Base-Backbone interact. energy: -0.143
local terms energy: -103.381308
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -323.084613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.084613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.185853 (E_RNA)
where:
Base-Base interactions energy: -219.210
where: short stacking energy: -105.184
Base-Backbone interact. energy: -0.070
local terms energy: -103.905660
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.101 (S_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: 303
Temperature: 1.050000
Total energy: -326.126092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.126092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.142184 (E_RNA)
where:
Base-Base interactions energy: -218.402
where: short stacking energy: -105.162
Base-Backbone interact. energy: 0.013
local terms energy: -107.753844
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -28.793
Dist. restrs. and SS energy: 0.016 (S_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: 303
Temperature: 1.100000
Total energy: -270.063110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.063110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.865430 (E_RNA)
where:
Base-Base interactions energy: -167.230
where: short stacking energy: -77.200
Base-Backbone interact. energy: -0.332
local terms energy: -104.303626
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -24.494
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -249.144456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.404119 (E_RNA)
where:
Base-Base interactions energy: -163.515
where: short stacking energy: -81.699
Base-Backbone interact. energy: -0.207
local terms energy: -85.681701
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.260 (S_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: 303
Temperature: 1.200000
Total energy: -229.769744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.769744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789455 (E_RNA)
where:
Base-Base interactions energy: -140.285
where: short stacking energy: -71.824
Base-Backbone interact. energy: -0.027
local terms energy: -89.477682
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -236.203143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.203143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.317612 (E_RNA)
where:
Base-Base interactions energy: -154.159
where: short stacking energy: -77.811
Base-Backbone interact. energy: -1.101
local terms energy: -81.058323
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -235.351334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.351334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.439379 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -75.296
Base-Backbone interact. energy: -0.385
local terms energy: -92.370493
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.088 (S_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: 303
Temperature: 1.350000
Total energy: -219.383128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.383128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.551195 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -73.752
Base-Backbone interact. energy: 1.101
local terms energy: -78.351827
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -352.455924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.455924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.502094 (E_RNA)
where:
Base-Base interactions energy: -235.482
where: short stacking energy: -112.202
Base-Backbone interact. energy: -0.171
local terms energy: -116.849487
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.046 (S_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: 304
Temperature: 0.950000
Total energy: -324.765457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.765457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.968802 (E_RNA)
where:
Base-Base interactions energy: -215.499
where: short stacking energy: -114.017
Base-Backbone interact. energy: -0.269
local terms energy: -109.201194
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -32.794
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -331.196491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.196491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.210849 (E_RNA)
where:
Base-Base interactions energy: -216.590
where: short stacking energy: -102.196
Base-Backbone interact. energy: -0.854
local terms energy: -113.766312
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -29.866
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -319.641133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.641133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.649229 (E_RNA)
where:
Base-Base interactions energy: -204.912
where: short stacking energy: -91.713
Base-Backbone interact. energy: -1.013
local terms energy: -113.724199
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -255.994102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.994102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.327547 (E_RNA)
where:
Base-Base interactions energy: -152.974
where: short stacking energy: -79.059
Base-Backbone interact. energy: -0.493
local terms energy: -102.860016
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.333 (S_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: -257.780052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.780052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.711506 (E_RNA)
where:
Base-Base interactions energy: -172.331
where: short stacking energy: -85.564
Base-Backbone interact. energy: -0.027
local terms energy: -87.353397
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 1.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -253.050558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.050558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.072081 (E_RNA)
where:
Base-Base interactions energy: -158.621
where: short stacking energy: -76.843
Base-Backbone interact. energy: -0.650
local terms energy: -93.801492
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -228.608374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.608374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.711819 (E_RNA)
where:
Base-Base interactions energy: -150.571
where: short stacking energy: -70.330
Base-Backbone interact. energy: -0.288
local terms energy: -77.852646
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.103 (S_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: 304
Temperature: 1.300000
Total energy: -228.559962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.559962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.608617 (E_RNA)
where:
Base-Base interactions energy: -148.354
where: short stacking energy: -65.209
Base-Backbone interact. energy: -0.187
local terms energy: -80.067861
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -222.125694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.125694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.158334 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.038
local terms energy: -79.602509
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -334.758555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.758555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.777138 (E_RNA)
where:
Base-Base interactions energy: -221.868
where: short stacking energy: -98.627
Base-Backbone interact. energy: -0.467
local terms energy: -112.441646
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -27.116
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -331.532150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.532150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.691108 (E_RNA)
where:
Base-Base interactions energy: -215.529
where: short stacking energy: -113.116
Base-Backbone interact. energy: -0.178
local terms energy: -115.984008
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -34.974
Dist. restrs. and SS energy: 0.159 (S_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: 305
Temperature: 1.000000
Total energy: -325.503854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.503854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.682401 (E_RNA)
where:
Base-Base interactions energy: -210.426
where: short stacking energy: -99.392
Base-Backbone interact. energy: -0.045
local terms energy: -115.210987
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -31.710
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -312.872347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.872347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.917268 (E_RNA)
where:
Base-Base interactions energy: -209.352
where: short stacking energy: -97.832
Base-Backbone interact. energy: -0.073
local terms energy: -103.492490
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -28.893
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -264.942340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.942340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.166790 (E_RNA)
where:
Base-Base interactions energy: -163.518
where: short stacking energy: -91.071
Base-Backbone interact. energy: -0.186
local terms energy: -101.462591
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -271.662717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.662717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.791587 (E_RNA)
where:
Base-Base interactions energy: -173.734
where: short stacking energy: -94.153
Base-Backbone interact. energy: -0.040
local terms energy: -98.017559
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -31.757
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -265.495380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.495380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.540692 (E_RNA)
where:
Base-Base interactions energy: -171.314
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.054
local terms energy: -94.173456
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.045 (S_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: 305
Temperature: 1.250000
Total energy: -227.811068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.811068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.963682 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.307
local terms energy: -81.634295
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -211.851771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.851771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.002953 (E_RNA)
where:
Base-Base interactions energy: -133.071
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.253
local terms energy: -78.678380
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -210.387090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.387090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.433492 (E_RNA)
where:
Base-Base interactions energy: -125.870
where: short stacking energy: -60.989
Base-Backbone interact. energy: -1.073
local terms energy: -83.490426
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -341.693814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.693814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.693814 (E_RNA)
where:
Base-Base interactions energy: -227.836
where: short stacking energy: -109.253
Base-Backbone interact. energy: -0.657
local terms energy: -113.201048
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -28.591
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -338.015445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.015445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.017405 (E_RNA)
where:
Base-Base interactions energy: -226.278
where: short stacking energy: -104.868
Base-Backbone interact. energy: -0.754
local terms energy: -110.984910
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -30.066
Dist. restrs. and SS energy: 0.002 (S_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: 306
Temperature: 1.000000
Total energy: -323.603632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.603632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.675885 (E_RNA)
where:
Base-Base interactions energy: -218.921
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.056
local terms energy: -104.698045
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -28.043
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -303.889705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.889705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.898174 (E_RNA)
where:
Base-Base interactions energy: -197.380
where: short stacking energy: -100.499
Base-Backbone interact. energy: -0.186
local terms energy: -106.331442
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -21.406
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 0.008 (S_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: 306
Temperature: 1.100000
Total energy: -278.902969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.902969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.938196 (E_RNA)
where:
Base-Base interactions energy: -178.000
where: short stacking energy: -91.485
Base-Backbone interact. energy: -0.010
local terms energy: -100.928368
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.035 (S_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: 306
Temperature: 1.150000
Total energy: -260.376394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.376394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.540568 (E_RNA)
where:
Base-Base interactions energy: -159.550
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.586
local terms energy: -100.405068
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -259.085510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.085510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.156646 (E_RNA)
where:
Base-Base interactions energy: -169.735
where: short stacking energy: -88.861
Base-Backbone interact. energy: 2.611
local terms energy: -92.032734
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.071 (S_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: 306
Temperature: 1.250000
Total energy: -219.691395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.691395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.854359 (E_RNA)
where:
Base-Base interactions energy: -137.025
where: short stacking energy: -67.646
Base-Backbone interact. energy: 2.348
local terms energy: -85.177341
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -198.950957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.950957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.594231 (E_RNA)
where:
Base-Base interactions energy: -126.387
where: short stacking energy: -49.783
Base-Backbone interact. energy: 0.539
local terms energy: -73.745316
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -224.374011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.374011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.374011 (E_RNA)
where:
Base-Base interactions energy: -136.336
where: short stacking energy: -64.970
Base-Backbone interact. energy: -0.099
local terms energy: -87.938594
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -13.107
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: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -337.195482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.195482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.365431 (E_RNA)
where:
Base-Base interactions energy: -222.221
where: short stacking energy: -108.448
Base-Backbone interact. energy: -0.040
local terms energy: -115.104367
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -32.803
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -334.819628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.819628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.050961 (E_RNA)
where:
Base-Base interactions energy: -222.387
where: short stacking energy: -99.462
Base-Backbone interact. energy: -0.073
local terms energy: -112.591628
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -28.349
Dist. restrs. and SS energy: 0.231 (S_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: 307
Temperature: 1.000000
Total energy: -317.974544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.974544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.022253 (E_RNA)
where:
Base-Base interactions energy: -216.243
where: short stacking energy: -104.322
Base-Backbone interact. energy: -0.235
local terms energy: -101.545057
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -25.092
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -276.475712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.475712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.651865 (E_RNA)
where:
Base-Base interactions energy: -175.884
where: short stacking energy: -83.588
Base-Backbone interact. energy: 0.002
local terms energy: -100.769974
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -23.601
Dist. restrs. and SS energy: 0.176 (S_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: 307
Temperature: 1.100000
Total energy: -267.389926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.389926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.533004 (E_RNA)
where:
Base-Base interactions energy: -180.162
where: short stacking energy: -76.726
Base-Backbone interact. energy: 0.892
local terms energy: -88.262804
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -24.221
Dist. restrs. and SS energy: 0.143 (S_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: 307
Temperature: 1.150000
Total energy: -274.704537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.704537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.043930 (E_RNA)
where:
Base-Base interactions energy: -180.886
where: short stacking energy: -85.286
Base-Backbone interact. energy: -0.710
local terms energy: -93.447967
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -257.290214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.290214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.362780 (E_RNA)
where:
Base-Base interactions energy: -154.262
where: short stacking energy: -80.238
Base-Backbone interact. energy: -0.110
local terms energy: -102.990257
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -201.248109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.248109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.296565 (E_RNA)
where:
Base-Base interactions energy: -124.281
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.163
local terms energy: -76.853234
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.048 (S_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: 307
Temperature: 1.300000
Total energy: -236.952239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.952239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.027801 (E_RNA)
where:
Base-Base interactions energy: -157.940
where: short stacking energy: -66.983
Base-Backbone interact. energy: 0.341
local terms energy: -79.429009
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -207.247458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.247458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.277256 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -61.996
Base-Backbone interact. energy: 2.511
local terms energy: -75.290327
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -340.359286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.359286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.389924 (E_RNA)
where:
Base-Base interactions energy: -226.606
where: short stacking energy: -100.156
Base-Backbone interact. energy: -0.190
local terms energy: -113.593402
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -328.503289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.503289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.512427 (E_RNA)
where:
Base-Base interactions energy: -214.039
where: short stacking energy: -104.789
Base-Backbone interact. energy: -0.127
local terms energy: -114.346426
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -32.889
Dist. restrs. and SS energy: 0.009 (S_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: 308
Temperature: 1.000000
Total energy: -322.536015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.536015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.149970 (E_RNA)
where:
Base-Base interactions energy: -220.317
where: short stacking energy: -100.648
Base-Backbone interact. energy: -0.175
local terms energy: -102.658333
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -282.735817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.735817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.054605 (E_RNA)
where:
Base-Base interactions energy: -182.093
where: short stacking energy: -85.121
Base-Backbone interact. energy: -0.864
local terms energy: -101.098114
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -26.628
Dist. restrs. and SS energy: 1.319 (S_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: 308
Temperature: 1.100000
Total energy: -283.482463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.482463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.637165 (E_RNA)
where:
Base-Base interactions energy: -185.375
where: short stacking energy: -87.229
Base-Backbone interact. energy: -0.747
local terms energy: -97.515475
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -274.063311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.063311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.107320 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -82.713
Base-Backbone interact. energy: -0.491
local terms energy: -103.639659
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -250.647729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.647729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.727418 (E_RNA)
where:
Base-Base interactions energy: -157.890
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.053
local terms energy: -92.784418
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -215.785728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.785728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.921675 (E_RNA)
where:
Base-Base interactions energy: -136.932
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.463
local terms energy: -78.526597
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -225.780588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.780588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.150057 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.209
local terms energy: -88.646512
where:
bonds (distance) C4'-P energy: -23.814
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.369 (S_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: 308
Temperature: 1.350000
Total energy: -227.007330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.007330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.127825 (E_RNA)
where:
Base-Base interactions energy: -149.886
where: short stacking energy: -77.892
Base-Backbone interact. energy: 0.044
local terms energy: -77.285434
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -338.804673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.890153 (E_RNA)
where:
Base-Base interactions energy: -217.707
where: short stacking energy: -101.388
Base-Backbone interact. energy: -0.396
local terms energy: -120.786610
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -313.146457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.146457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.145336 (E_RNA)
where:
Base-Base interactions energy: -208.708
where: short stacking energy: -96.870
Base-Backbone interact. energy: -0.707
local terms energy: -104.729870
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -318.383125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.383125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.451931 (E_RNA)
where:
Base-Base interactions energy: -212.713
where: short stacking energy: -94.235
Base-Backbone interact. energy: -0.342
local terms energy: -105.396744
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -28.061
Dist. restrs. and SS energy: 0.069 (S_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: 309
Temperature: 1.050000
Total energy: -267.465598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.465598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.474309 (E_RNA)
where:
Base-Base interactions energy: -170.270
where: short stacking energy: -85.456
Base-Backbone interact. energy: -0.146
local terms energy: -97.058837
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -279.119861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.119861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.045231 (E_RNA)
where:
Base-Base interactions energy: -190.698
where: short stacking energy: -87.174
Base-Backbone interact. energy: 0.701
local terms energy: -91.048494
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 1.925 (S_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: 309
Temperature: 1.150000
Total energy: -269.483499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.483499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.497135 (E_RNA)
where:
Base-Base interactions energy: -176.447
where: short stacking energy: -85.771
Base-Backbone interact. energy: -0.033
local terms energy: -94.017089
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 1.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -254.562079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.562079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.636779 (E_RNA)
where:
Base-Base interactions energy: -170.390
where: short stacking energy: -87.089
Base-Backbone interact. energy: -0.277
local terms energy: -83.969475
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -22.816
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -248.382501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.382501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.640336 (E_RNA)
where:
Base-Base interactions energy: -156.852
where: short stacking energy: -84.183
Base-Backbone interact. energy: -0.250
local terms energy: -91.538633
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -214.518876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301867 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -55.440
Base-Backbone interact. energy: -0.144
local terms energy: -74.468142
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.783 (S_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: 309
Temperature: 1.350000
Total energy: -214.518421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.587287 (E_RNA)
where:
Base-Base interactions energy: -144.509
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.361
local terms energy: -69.717679
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -335.675936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.675936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.776425 (E_RNA)
where:
Base-Base interactions energy: -216.823
where: short stacking energy: -110.329
Base-Backbone interact. energy: -0.057
local terms energy: -118.896682
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -319.864440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.864440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.872137 (E_RNA)
where:
Base-Base interactions energy: -216.781
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.727
local terms energy: -102.363912
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -316.490233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.490233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.604442 (E_RNA)
where:
Base-Base interactions energy: -208.678
where: short stacking energy: -94.195
Base-Backbone interact. energy: -0.314
local terms energy: -107.611985
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -31.236
Dist. restrs. and SS energy: 0.114 (S_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: 310
Temperature: 1.050000
Total energy: -306.313701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.313701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.439173 (E_RNA)
where:
Base-Base interactions energy: -203.340
where: short stacking energy: -105.149
Base-Backbone interact. energy: -0.002
local terms energy: -103.096807
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -306.590548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.590548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.389366 (E_RNA)
where:
Base-Base interactions energy: -196.832
where: short stacking energy: -92.456
Base-Backbone interact. energy: -0.889
local terms energy: -109.668652
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -25.298
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -28.015
Dist. restrs. and SS energy: 0.799 (S_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: 310
Temperature: 1.150000
Total energy: -258.756145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.756145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.023397 (E_RNA)
where:
Base-Base interactions energy: -173.458
where: short stacking energy: -83.082
Base-Backbone interact. energy: -0.195
local terms energy: -85.369888
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -252.529740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.529740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.552524 (E_RNA)
where:
Base-Base interactions energy: -158.935
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.154
local terms energy: -93.463609
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -225.737607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.737607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.801772 (E_RNA)
where:
Base-Base interactions energy: -137.667
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.367
local terms energy: -87.768104
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.064 (S_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: 310
Temperature: 1.300000
Total energy: -245.066723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.066723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.243554 (E_RNA)
where:
Base-Base interactions energy: -167.644
where: short stacking energy: -64.973
Base-Backbone interact. energy: 0.945
local terms energy: -78.544444
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -199.775912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.939142 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -59.243
Base-Backbone interact. energy: 2.079
local terms energy: -68.517345
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -340.226265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.226265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.527406 (E_RNA)
where:
Base-Base interactions energy: -224.017
where: short stacking energy: -110.647
Base-Backbone interact. energy: -0.028
local terms energy: -116.482258
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -32.561
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -335.062183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.062183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.074015 (E_RNA)
where:
Base-Base interactions energy: -219.995
where: short stacking energy: -111.540
Base-Backbone interact. energy: -0.015
local terms energy: -115.064078
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -33.272
Dist. restrs. and SS energy: 0.012 (S_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: 311
Temperature: 1.000000
Total energy: -325.040424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.090124 (E_RNA)
where:
Base-Base interactions energy: -216.742
where: short stacking energy: -91.998
Base-Backbone interact. energy: 0.100
local terms energy: -108.447718
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -325.764185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.874394 (E_RNA)
where:
Base-Base interactions energy: -220.180
where: short stacking energy: -99.068
Base-Backbone interact. energy: -0.256
local terms energy: -107.438090
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -30.864
Dist. restrs. and SS energy: 2.110 (S_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: 311
Temperature: 1.100000
Total energy: -299.362709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.362709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.518607 (E_RNA)
where:
Base-Base interactions energy: -202.622
where: short stacking energy: -82.430
Base-Backbone interact. energy: -0.208
local terms energy: -96.688718
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -261.112164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.112164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.227647 (E_RNA)
where:
Base-Base interactions energy: -163.888
where: short stacking energy: -83.389
Base-Backbone interact. energy: -0.603
local terms energy: -96.736589
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -261.868934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.868934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.914316 (E_RNA)
where:
Base-Base interactions energy: -172.540
where: short stacking energy: -81.635
Base-Backbone interact. energy: 0.088
local terms energy: -89.462245
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -244.371154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.371154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.372781 (E_RNA)
where:
Base-Base interactions energy: -142.648
where: short stacking energy: -72.904
Base-Backbone interact. energy: -0.188
local terms energy: -101.536433
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.002 (S_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: 311
Temperature: 1.300000
Total energy: -237.219766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.219766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.657087 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.154
local terms energy: -94.729206
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -204.077002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.077002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078338 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -58.870
Base-Backbone interact. energy: -0.417
local terms energy: -71.801023
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -345.037811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.037811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.081226 (E_RNA)
where:
Base-Base interactions energy: -231.249
where: short stacking energy: -109.581
Base-Backbone interact. energy: 1.374
local terms energy: -115.205750
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -31.932
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -324.941116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.941116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.967108 (E_RNA)
where:
Base-Base interactions energy: -215.725
where: short stacking energy: -94.888
Base-Backbone interact. energy: -0.015
local terms energy: -109.226736
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -28.705
Dist. restrs. and SS energy: 0.026 (S_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: 312
Temperature: 1.000000
Total energy: -305.349501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.349501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.574614 (E_RNA)
where:
Base-Base interactions energy: -210.693
where: short stacking energy: -93.719
Base-Backbone interact. energy: 0.004
local terms energy: -94.885225
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -322.541651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.541651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.699380 (E_RNA)
where:
Base-Base interactions energy: -219.407
where: short stacking energy: -102.267
Base-Backbone interact. energy: -0.143
local terms energy: -104.149822
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -27.788
Dist. restrs. and SS energy: 1.158 (S_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: 312
Temperature: 1.100000
Total energy: -275.004012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.004012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.024472 (E_RNA)
where:
Base-Base interactions energy: -182.710
where: short stacking energy: -86.654
Base-Backbone interact. energy: -0.006
local terms energy: -92.308441
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.020 (S_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: 312
Temperature: 1.150000
Total energy: -267.928773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.928773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.023197 (E_RNA)
where:
Base-Base interactions energy: -169.642
where: short stacking energy: -79.393
Base-Backbone interact. energy: -0.580
local terms energy: -97.801097
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -277.156282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.156282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.193962 (E_RNA)
where:
Base-Base interactions energy: -182.576
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.113
local terms energy: -94.505088
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -236.740503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.740503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013675 (E_RNA)
where:
Base-Base interactions energy: -147.147
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.472
local terms energy: -89.394438
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.273 (S_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: 312
Temperature: 1.300000
Total energy: -234.169137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.169137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.267746 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.513
local terms energy: -87.627842
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -222.855473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.007154 (E_RNA)
where:
Base-Base interactions energy: -147.266
where: short stacking energy: -68.599
Base-Backbone interact. energy: -0.190
local terms energy: -75.551282
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -338.482667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.482667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.482667 (E_RNA)
where:
Base-Base interactions energy: -229.952
where: short stacking energy: -111.396
Base-Backbone interact. energy: -0.157
local terms energy: -108.373112
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -31.065
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -313.096302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.096302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.118295 (E_RNA)
where:
Base-Base interactions energy: -211.783
where: short stacking energy: -99.069
Base-Backbone interact. energy: -0.070
local terms energy: -101.265746
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.022 (S_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: 313
Temperature: 1.000000
Total energy: -326.113094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.113094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.243152 (E_RNA)
where:
Base-Base interactions energy: -214.561
where: short stacking energy: -98.514
Base-Backbone interact. energy: -0.180
local terms energy: -111.501772
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -309.921950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.921950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.154481 (E_RNA)
where:
Base-Base interactions energy: -212.091
where: short stacking energy: -95.469
Base-Backbone interact. energy: -0.170
local terms energy: -97.892568
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -26.362
Dist. restrs. and SS energy: 0.233 (S_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: 313
Temperature: 1.100000
Total energy: -295.753070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.753070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.761924 (E_RNA)
where:
Base-Base interactions energy: -195.690
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.294
local terms energy: -99.777625
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.009 (S_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: 313
Temperature: 1.150000
Total energy: -260.285260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.285260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.431600 (E_RNA)
where:
Base-Base interactions energy: -170.815
where: short stacking energy: -74.948
Base-Backbone interact. energy: -0.645
local terms energy: -88.972019
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -278.174129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.174129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.174129 (E_RNA)
where:
Base-Base interactions energy: -185.855
where: short stacking energy: -74.807
Base-Backbone interact. energy: -0.263
local terms energy: -92.056088
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -247.653106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.653106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.052665 (E_RNA)
where:
Base-Base interactions energy: -150.799
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.263
local terms energy: -96.990075
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.400 (S_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: 313
Temperature: 1.300000
Total energy: -223.947853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.947853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.035688 (E_RNA)
where:
Base-Base interactions energy: -154.447
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.210
local terms energy: -69.378452
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -222.901068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.901068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.963999 (E_RNA)
where:
Base-Base interactions energy: -139.424
where: short stacking energy: -65.962
Base-Backbone interact. energy: -0.993
local terms energy: -82.547656
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -327.637202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.637202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.872512 (E_RNA)
where:
Base-Base interactions energy: -217.065
where: short stacking energy: -98.133
Base-Backbone interact. energy: -0.107
local terms energy: -110.699990
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -349.208872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.208872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.434968 (E_RNA)
where:
Base-Base interactions energy: -234.676
where: short stacking energy: -108.696
Base-Backbone interact. energy: -0.210
local terms energy: -114.548314
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -30.767
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -325.241843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.241843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.275650 (E_RNA)
where:
Base-Base interactions energy: -220.290
where: short stacking energy: -97.123
Base-Backbone interact. energy: -0.152
local terms energy: -104.834058
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -284.868384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.868384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.226174 (E_RNA)
where:
Base-Base interactions energy: -184.219
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.278
local terms energy: -101.729169
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 1.358 (S_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: 314
Temperature: 1.100000
Total energy: -259.670383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.670383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.718455 (E_RNA)
where:
Base-Base interactions energy: -164.325
where: short stacking energy: -86.249
Base-Backbone interact. energy: -0.444
local terms energy: -94.950210
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.048 (S_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: 314
Temperature: 1.150000
Total energy: -290.819934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.819934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.922361 (E_RNA)
where:
Base-Base interactions energy: -194.670
where: short stacking energy: -96.334
Base-Backbone interact. energy: -0.441
local terms energy: -95.811503
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: 0.102 (S_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: 314
Temperature: 1.200000
Total energy: -229.041244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.041244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.101328 (E_RNA)
where:
Base-Base interactions energy: -152.384
where: short stacking energy: -75.673
Base-Backbone interact. energy: -0.469
local terms energy: -76.248459
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -244.840708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.840708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.925485 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -80.344
Base-Backbone interact. energy: -0.148
local terms energy: -97.461897
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -229.531612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.531612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.751158 (E_RNA)
where:
Base-Base interactions energy: -147.802
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.400
local terms energy: -81.549584
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.220 (S_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: 314
Temperature: 1.350000
Total energy: -187.028201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.028201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.028201 (E_RNA)
where:
Base-Base interactions energy: -117.385
where: short stacking energy: -51.599
Base-Backbone interact. energy: -0.111
local terms energy: -69.531715
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -7.610
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: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -337.402163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.402163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.402163 (E_RNA)
where:
Base-Base interactions energy: -218.604
where: short stacking energy: -105.528
Base-Backbone interact. energy: -0.111
local terms energy: -118.687694
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -331.041367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.041367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.050479 (E_RNA)
where:
Base-Base interactions energy: -214.631
where: short stacking energy: -102.577
Base-Backbone interact. energy: -0.011
local terms energy: -116.408708
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -31.281
Dist. restrs. and SS energy: 0.009 (S_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: 315
Temperature: 1.000000
Total energy: -312.526756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.526756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.733364 (E_RNA)
where:
Base-Base interactions energy: -206.774
where: short stacking energy: -89.761
Base-Backbone interact. energy: -0.253
local terms energy: -105.705917
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -290.528747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.528747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.528747 (E_RNA)
where:
Base-Base interactions energy: -200.972
where: short stacking energy: -83.887
Base-Backbone interact. energy: -0.890
local terms energy: -88.666462
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -273.723142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.723142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.763610 (E_RNA)
where:
Base-Base interactions energy: -185.587
where: short stacking energy: -85.044
Base-Backbone interact. energy: -0.036
local terms energy: -88.140619
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.040 (S_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: 315
Temperature: 1.150000
Total energy: -265.135226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.910659 (E_RNA)
where:
Base-Base interactions energy: -169.115
where: short stacking energy: -86.114
Base-Backbone interact. energy: -0.079
local terms energy: -96.716295
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.775 (S_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: 315
Temperature: 1.200000
Total energy: -240.910875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.910875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.957682 (E_RNA)
where:
Base-Base interactions energy: -149.675
where: short stacking energy: -74.679
Base-Backbone interact. energy: 0.054
local terms energy: -91.335973
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -242.412019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.412019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.435717 (E_RNA)
where:
Base-Base interactions energy: -151.706
where: short stacking energy: -80.134
Base-Backbone interact. energy: 0.005
local terms energy: -90.735246
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -226.015447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.015447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.069681 (E_RNA)
where:
Base-Base interactions energy: -141.735
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.173
local terms energy: -84.161292
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.054 (S_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: 315
Temperature: 1.350000
Total energy: -213.693113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.693113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.866184 (E_RNA)
where:
Base-Base interactions energy: -134.504
where: short stacking energy: -67.380
Base-Backbone interact. energy: 0.383
local terms energy: -79.745615
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -330.333668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.333668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.384226 (E_RNA)
where:
Base-Base interactions energy: -222.489
where: short stacking energy: -102.725
Base-Backbone interact. energy: -0.032
local terms energy: -107.863324
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -322.188303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.188303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.188303 (E_RNA)
where:
Base-Base interactions energy: -209.021
where: short stacking energy: -100.790
Base-Backbone interact. energy: -0.005
local terms energy: -113.162406
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -28.749
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -315.360710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.360710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.524708 (E_RNA)
where:
Base-Base interactions energy: -211.975
where: short stacking energy: -98.069
Base-Backbone interact. energy: -0.018
local terms energy: -103.530978
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -301.970430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.970430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.986955 (E_RNA)
where:
Base-Base interactions energy: -205.465
where: short stacking energy: -79.075
Base-Backbone interact. energy: -0.305
local terms energy: -96.217538
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.017 (S_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: 316
Temperature: 1.100000
Total energy: -260.825063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.825063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.849345 (E_RNA)
where:
Base-Base interactions energy: -166.613
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.514
local terms energy: -93.722143
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -313.205305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.205305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.323205 (E_RNA)
where:
Base-Base interactions energy: -209.354
where: short stacking energy: -104.813
Base-Backbone interact. energy: -0.044
local terms energy: -103.924653
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -32.399
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -254.768330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.768330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.914058 (E_RNA)
where:
Base-Base interactions energy: -156.604
where: short stacking energy: -80.951
Base-Backbone interact. energy: -0.184
local terms energy: -98.125365
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -219.982699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.982699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.046649 (E_RNA)
where:
Base-Base interactions energy: -139.928
where: short stacking energy: -68.009
Base-Backbone interact. energy: 1.911
local terms energy: -82.029161
where:
bonds (distance) C4'-P energy: -19.128
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.064 (S_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: 316
Temperature: 1.300000
Total energy: -221.469766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.469766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.502209 (E_RNA)
where:
Base-Base interactions energy: -136.786
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.252
local terms energy: -84.464434
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -213.416473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.416473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.490237 (E_RNA)
where:
Base-Base interactions energy: -131.200
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.834
local terms energy: -81.455841
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -337.608582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.608582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.667881 (E_RNA)
where:
Base-Base interactions energy: -229.201
where: short stacking energy: -97.783
Base-Backbone interact. energy: -0.459
local terms energy: -108.008084
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -25.050
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -332.910021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.910021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.997614 (E_RNA)
where:
Base-Base interactions energy: -225.577
where: short stacking energy: -113.331
Base-Backbone interact. energy: -0.025
local terms energy: -107.395334
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -316.425861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.425861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.494648 (E_RNA)
where:
Base-Base interactions energy: -217.764
where: short stacking energy: -94.696
Base-Backbone interact. energy: -0.381
local terms energy: -98.349206
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -313.837199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.837199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.852876 (E_RNA)
where:
Base-Base interactions energy: -212.683
where: short stacking energy: -94.010
Base-Backbone interact. energy: -0.085
local terms energy: -101.084283
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.016 (S_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: 317
Temperature: 1.100000
Total energy: -276.903784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.903784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.954195 (E_RNA)
where:
Base-Base interactions energy: -179.254
where: short stacking energy: -91.525
Base-Backbone interact. energy: -0.359
local terms energy: -97.341989
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -266.179529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.179529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.376438 (E_RNA)
where:
Base-Base interactions energy: -170.025
where: short stacking energy: -84.755
Base-Backbone interact. energy: -0.083
local terms energy: -96.268645
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -244.763592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.763592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.848301 (E_RNA)
where:
Base-Base interactions energy: -154.081
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.197
local terms energy: -90.570234
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.085 (S_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: 317
Temperature: 1.250000
Total energy: -222.593549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.593549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.655421 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -75.117
Base-Backbone interact. energy: 0.494
local terms energy: -77.800998
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -214.251546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.251546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.343913 (E_RNA)
where:
Base-Base interactions energy: -134.598
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.222
local terms energy: -79.523325
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -206.863787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.958081 (E_RNA)
where:
Base-Base interactions energy: -142.799
where: short stacking energy: -56.009
Base-Backbone interact. energy: 0.883
local terms energy: -65.042377
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -346.953568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.953568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.990377 (E_RNA)
where:
Base-Base interactions energy: -235.852
where: short stacking energy: -113.177
Base-Backbone interact. energy: -0.256
local terms energy: -110.882307
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -337.351389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.351389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.488836 (E_RNA)
where:
Base-Base interactions energy: -233.850
where: short stacking energy: -104.302
Base-Backbone interact. energy: 0.216
local terms energy: -103.854599
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.137 (S_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: 318
Temperature: 1.000000
Total energy: -321.115642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.115642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.123978 (E_RNA)
where:
Base-Base interactions energy: -218.907
where: short stacking energy: -98.464
Base-Backbone interact. energy: -0.444
local terms energy: -101.773153
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -310.380301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.380301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.419911 (E_RNA)
where:
Base-Base interactions energy: -206.305
where: short stacking energy: -104.826
Base-Backbone interact. energy: -0.181
local terms energy: -103.934109
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -28.134
Dist. restrs. and SS energy: 0.040 (S_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: 318
Temperature: 1.100000
Total energy: -284.442489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.442489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.488659 (E_RNA)
where:
Base-Base interactions energy: -181.898
where: short stacking energy: -91.502
Base-Backbone interact. energy: -0.181
local terms energy: -102.409219
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -250.983021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.983021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.233868 (E_RNA)
where:
Base-Base interactions energy: -155.835
where: short stacking energy: -81.460
Base-Backbone interact. energy: -0.183
local terms energy: -95.216024
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -248.492814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.492814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.496865 (E_RNA)
where:
Base-Base interactions energy: -158.415
where: short stacking energy: -81.550
Base-Backbone interact. energy: -0.007
local terms energy: -90.075335
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.004 (S_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: 318
Temperature: 1.250000
Total energy: -225.648024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.648024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.648024 (E_RNA)
where:
Base-Base interactions energy: -137.812
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.450
local terms energy: -87.385496
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -15.877
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: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -228.283478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.283478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.441024 (E_RNA)
where:
Base-Base interactions energy: -142.272
where: short stacking energy: -72.929
Base-Backbone interact. energy: -0.335
local terms energy: -85.833920
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -227.804449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.804449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.956889 (E_RNA)
where:
Base-Base interactions energy: -152.387
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.403
local terms energy: -75.166805
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -345.147610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.147610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.147610 (E_RNA)
where:
Base-Base interactions energy: -228.000
where: short stacking energy: -110.105
Base-Backbone interact. energy: 0.397
local terms energy: -117.545027
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -333.484960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.484960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.484960 (E_RNA)
where:
Base-Base interactions energy: -231.964
where: short stacking energy: -93.997
Base-Backbone interact. energy: -0.188
local terms energy: -101.333160
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -20.403
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: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -325.330788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.330788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.338766 (E_RNA)
where:
Base-Base interactions energy: -219.763
where: short stacking energy: -99.263
Base-Backbone interact. energy: -0.026
local terms energy: -105.549549
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.008 (S_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: 319
Temperature: 1.050000
Total energy: -319.181939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.181939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.373201 (E_RNA)
where:
Base-Base interactions energy: -213.669
where: short stacking energy: -108.227
Base-Backbone interact. energy: -0.262
local terms energy: -105.442391
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -28.115
Dist. restrs. and SS energy: 0.191 (S_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: 319
Temperature: 1.100000
Total energy: -260.817558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.817558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.909126 (E_RNA)
where:
Base-Base interactions energy: -167.721
where: short stacking energy: -87.098
Base-Backbone interact. energy: -0.134
local terms energy: -93.053369
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -23.872
Dist. restrs. and SS energy: 0.092 (S_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: 319
Temperature: 1.150000
Total energy: -257.152777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.152777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.290168 (E_RNA)
where:
Base-Base interactions energy: -162.915
where: short stacking energy: -83.062
Base-Backbone interact. energy: -0.108
local terms energy: -94.267025
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -243.630545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.630545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.634833 (E_RNA)
where:
Base-Base interactions energy: -153.931
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.662
local terms energy: -89.041469
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -229.900196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.900196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.948285 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.024
local terms energy: -84.672415
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.048 (S_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: 319
Temperature: 1.300000
Total energy: -237.322914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.322914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.478994 (E_RNA)
where:
Base-Base interactions energy: -146.138
where: short stacking energy: -78.306
Base-Backbone interact. energy: -0.284
local terms energy: -91.057504
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -238.055957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.055957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.184767 (E_RNA)
where:
Base-Base interactions energy: -147.093
where: short stacking energy: -66.183
Base-Backbone interact. energy: -0.307
local terms energy: -90.785190
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.129 (S_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: 320
Temperature: 0.900000
Total energy: -342.104848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.104848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.104848 (E_RNA)
where:
Base-Base interactions energy: -230.662
where: short stacking energy: -104.130
Base-Backbone interact. energy: -0.016
local terms energy: -111.426784
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -342.037564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.037564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.037564 (E_RNA)
where:
Base-Base interactions energy: -226.791
where: short stacking energy: -108.431
Base-Backbone interact. energy: -0.127
local terms energy: -115.119578
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -31.085
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -325.768279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.768279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.768279 (E_RNA)
where:
Base-Base interactions energy: -214.629
where: short stacking energy: -99.943
Base-Backbone interact. energy: -0.151
local terms energy: -110.988055
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -32.290
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: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -314.719711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.719711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.762903 (E_RNA)
where:
Base-Base interactions energy: -215.030
where: short stacking energy: -90.540
Base-Backbone interact. energy: -0.203
local terms energy: -99.530052
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.043 (S_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: 320
Temperature: 1.100000
Total energy: -272.370559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.370559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.370559 (E_RNA)
where:
Base-Base interactions energy: -174.532
where: short stacking energy: -86.581
Base-Backbone interact. energy: -0.144
local terms energy: -97.694550
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -261.496346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.496346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.515891 (E_RNA)
where:
Base-Base interactions energy: -163.759
where: short stacking energy: -76.685
Base-Backbone interact. energy: -0.111
local terms energy: -97.645513
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -236.450229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.450229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.489890 (E_RNA)
where:
Base-Base interactions energy: -142.119
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.043
local terms energy: -94.327855
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -233.608442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.608442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.660370 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -74.119
Base-Backbone interact. energy: -0.152
local terms energy: -86.646685
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -242.879727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.879727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.948354 (E_RNA)
where:
Base-Base interactions energy: -155.974
where: short stacking energy: -71.432
Base-Backbone interact. energy: -0.589
local terms energy: -86.385425
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.069 (S_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: 320
Temperature: 1.350000
Total energy: -232.624064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.624064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.896413 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -74.420
Base-Backbone interact. energy: -0.296
local terms energy: -86.163323
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.272 (S_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: 321
Temperature: 0.900000
Total energy: -336.632637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.632637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.632637 (E_RNA)
where:
Base-Base interactions energy: -220.561
where: short stacking energy: -110.649
Base-Backbone interact. energy: -0.044
local terms energy: -116.027358
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -28.020
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: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -331.331374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.331374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.333873 (E_RNA)
where:
Base-Base interactions energy: -222.095
where: short stacking energy: -95.202
Base-Backbone interact. energy: -0.165
local terms energy: -109.073928
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -317.742100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.742100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.742100 (E_RNA)
where:
Base-Base interactions energy: -215.327
where: short stacking energy: -100.437
Base-Backbone interact. energy: -0.041
local terms energy: -102.374632
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -308.008524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.008524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.021047 (E_RNA)
where:
Base-Base interactions energy: -202.056
where: short stacking energy: -95.888
Base-Backbone interact. energy: -0.485
local terms energy: -105.480233
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -301.236308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.236308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.241719 (E_RNA)
where:
Base-Base interactions energy: -199.647
where: short stacking energy: -97.468
Base-Backbone interact. energy: -0.109
local terms energy: -101.485686
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -246.418064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.418064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.473921 (E_RNA)
where:
Base-Base interactions energy: -153.652
where: short stacking energy: -73.665
Base-Backbone interact. energy: -0.409
local terms energy: -92.413069
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.056 (S_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: -243.780928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.780928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.862630 (E_RNA)
where:
Base-Base interactions energy: -150.504
where: short stacking energy: -70.997
Base-Backbone interact. energy: -0.188
local terms energy: -93.170374
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -227.083323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.083323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.103770 (E_RNA)
where:
Base-Base interactions energy: -148.880
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.441
local terms energy: -77.782370
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -216.317841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.317841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.331422 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -70.384
Base-Backbone interact. energy: 2.072
local terms energy: -87.456946
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.014 (S_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: 321
Temperature: 1.350000
Total energy: -223.847341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.847341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.877292 (E_RNA)
where:
Base-Base interactions energy: -140.388
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.060
local terms energy: -83.429679
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.030 (S_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: -327.528558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.528558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.897183 (E_RNA)
where:
Base-Base interactions energy: -221.562
where: short stacking energy: -95.741
Base-Backbone interact. energy: -0.622
local terms energy: -105.713241
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -26.472
Dist. restrs. and SS energy: 0.369 (S_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: 322
Temperature: 0.950000
Total energy: -328.281948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.281948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.321827 (E_RNA)
where:
Base-Base interactions energy: -217.658
where: short stacking energy: -98.682
Base-Backbone interact. energy: -0.105
local terms energy: -110.558328
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -325.506607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.506607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.563476 (E_RNA)
where:
Base-Base interactions energy: -212.953
where: short stacking energy: -108.398
Base-Backbone interact. energy: -0.008
local terms energy: -112.602388
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -32.371
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -311.153958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.153958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.202362 (E_RNA)
where:
Base-Base interactions energy: -202.238
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.174
local terms energy: -108.790665
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -25.494
Dist. restrs. and SS energy: 0.048 (S_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: 322
Temperature: 1.100000
Total energy: -293.339337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.339337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.439015 (E_RNA)
where:
Base-Base interactions energy: -184.571
where: short stacking energy: -92.037
Base-Backbone interact. energy: -0.074
local terms energy: -108.793724
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -250.090822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.090822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.249707 (E_RNA)
where:
Base-Base interactions energy: -154.339
where: short stacking energy: -78.733
Base-Backbone interact. energy: 0.061
local terms energy: -95.971748
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.159 (S_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: -267.751424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.751424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.759862 (E_RNA)
where:
Base-Base interactions energy: -173.625
where: short stacking energy: -90.056
Base-Backbone interact. energy: -0.560
local terms energy: -93.575033
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -228.410301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.410301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.526855 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -63.906
Base-Backbone interact. energy: -1.020
local terms energy: -94.455690
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.117 (S_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: 322
Temperature: 1.300000
Total energy: -241.251723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.251723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.290768 (E_RNA)
where:
Base-Base interactions energy: -155.285
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.089
local terms energy: -85.917074
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -227.853150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.853150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.190680 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -60.100
Base-Backbone interact. energy: -0.144
local terms energy: -91.609250
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.338 (S_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: -323.373069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.373069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.396775 (E_RNA)
where:
Base-Base interactions energy: -216.412
where: short stacking energy: -105.614
Base-Backbone interact. energy: -0.045
local terms energy: -106.939194
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -342.056350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.056350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.056350 (E_RNA)
where:
Base-Base interactions energy: -231.398
where: short stacking energy: -113.691
Base-Backbone interact. energy: -0.001
local terms energy: -110.657257
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -15.901
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: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -333.723720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.723720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.961887 (E_RNA)
where:
Base-Base interactions energy: -229.049
where: short stacking energy: -100.592
Base-Backbone interact. energy: -0.175
local terms energy: -104.737257
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -26.424
Dist. restrs. and SS energy: 0.238 (S_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: 323
Temperature: 1.050000
Total energy: -298.236693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.236693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.345814 (E_RNA)
where:
Base-Base interactions energy: -201.702
where: short stacking energy: -113.392
Base-Backbone interact. energy: -0.171
local terms energy: -96.472916
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -311.164504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.164504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.477683 (E_RNA)
where:
Base-Base interactions energy: -214.850
where: short stacking energy: -89.341
Base-Backbone interact. energy: 0.128
local terms energy: -96.755228
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -266.324895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.324895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.656139 (E_RNA)
where:
Base-Base interactions energy: -177.177
where: short stacking energy: -88.525
Base-Backbone interact. energy: -1.239
local terms energy: -88.239488
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.331 (S_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: -248.002657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.002657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.002657 (E_RNA)
where:
Base-Base interactions energy: -162.649
where: short stacking energy: -82.308
Base-Backbone interact. energy: -0.135
local terms energy: -85.218074
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -232.782447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.782447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.788731 (E_RNA)
where:
Base-Base interactions energy: -144.780
where: short stacking energy: -68.433
Base-Backbone interact. energy: -0.008
local terms energy: -88.000692
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -225.747919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.747919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.747919 (E_RNA)
where:
Base-Base interactions energy: -145.124
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.067
local terms energy: -80.556811
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -214.584963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.584963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.739855 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -72.370
Base-Backbone interact. energy: -0.309
local terms energy: -69.559801
where:
bonds (distance) C4'-P energy: -4.404
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -345.387573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.387573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.497128 (E_RNA)
where:
Base-Base interactions energy: -224.103
where: short stacking energy: -101.291
Base-Backbone interact. energy: -0.011
local terms energy: -121.382302
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -33.580
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -318.310665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.310665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.487901 (E_RNA)
where:
Base-Base interactions energy: -220.145
where: short stacking energy: -110.886
Base-Backbone interact. energy: -0.036
local terms energy: -98.306932
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.177 (S_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: 324
Temperature: 1.000000
Total energy: -320.771877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.771877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.814306 (E_RNA)
where:
Base-Base interactions energy: -223.414
where: short stacking energy: -102.994
Base-Backbone interact. energy: -0.203
local terms energy: -97.197397
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: 0.042 (S_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: 324
Temperature: 1.050000
Total energy: -295.476398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.476398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.637690 (E_RNA)
where:
Base-Base interactions energy: -196.027
where: short stacking energy: -102.018
Base-Backbone interact. energy: -0.195
local terms energy: -99.415876
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -26.236
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. 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: -303.019333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.019333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.171293 (E_RNA)
where:
Base-Base interactions energy: -201.031
where: short stacking energy: -94.522
Base-Backbone interact. energy: -0.190
local terms energy: -101.950187
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -271.168008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.168008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.324810 (E_RNA)
where:
Base-Base interactions energy: -172.810
where: short stacking energy: -90.551
Base-Backbone interact. energy: -0.686
local terms energy: -97.828933
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.157 (S_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: 324
Temperature: 1.200000
Total energy: -253.471872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.471872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.537900 (E_RNA)
where:
Base-Base interactions energy: -162.402
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.245
local terms energy: -90.891522
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -254.698562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.698562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.159033 (E_RNA)
where:
Base-Base interactions energy: -165.130
where: short stacking energy: -85.788
Base-Backbone interact. energy: -0.015
local terms energy: -90.014590
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -216.439465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.439465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.507658 (E_RNA)
where:
Base-Base interactions energy: -131.879
where: short stacking energy: -63.201
Base-Backbone interact. energy: 0.542
local terms energy: -85.170483
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -216.631070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.631070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.646868 (E_RNA)
where:
Base-Base interactions energy: -135.977
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.325
local terms energy: -80.344502
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -346.474416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.474416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.556200 (E_RNA)
where:
Base-Base interactions energy: -231.580
where: short stacking energy: -114.407
Base-Backbone interact. energy: -0.014
local terms energy: -114.961505
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -321.343438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.343438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.384310 (E_RNA)
where:
Base-Base interactions energy: -215.630
where: short stacking energy: -93.256
Base-Backbone interact. energy: -0.145
local terms energy: -105.609435
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -24.880
Dist. restrs. and SS energy: 0.041 (S_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: 325
Temperature: 1.000000
Total energy: -318.190160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.190160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.202745 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -84.631
Base-Backbone interact. energy: -0.095
local terms energy: -103.617488
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -24.035
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -313.822276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.822276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.841404 (E_RNA)
where:
Base-Base interactions energy: -212.426
where: short stacking energy: -89.576
Base-Backbone interact. energy: -0.007
local terms energy: -101.408625
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -29.750
Dist. restrs. and SS energy: 0.019 (S_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: 325
Temperature: 1.100000
Total energy: -313.224962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.224962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.241200 (E_RNA)
where:
Base-Base interactions energy: -207.463
where: short stacking energy: -104.506
Base-Backbone interact. energy: -0.076
local terms energy: -105.702132
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -29.526
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -255.592035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.592035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.725936 (E_RNA)
where:
Base-Base interactions energy: -159.084
where: short stacking energy: -86.257
Base-Backbone interact. energy: -0.132
local terms energy: -96.510283
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.134 (S_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: 325
Temperature: 1.200000
Total energy: -242.974123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.974123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.014059 (E_RNA)
where:
Base-Base interactions energy: -154.429
where: short stacking energy: -76.524
Base-Backbone interact. energy: 0.428
local terms energy: -89.012541
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -239.568919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.568919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.631248 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -81.135
Base-Backbone interact. energy: 1.528
local terms energy: -87.381645
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -245.973811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.973811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.157104 (E_RNA)
where:
Base-Base interactions energy: -162.762
where: short stacking energy: -67.537
Base-Backbone interact. energy: -1.109
local terms energy: -82.286197
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -224.839317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.839317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.941481 (E_RNA)
where:
Base-Base interactions energy: -148.013
where: short stacking energy: -74.401
Base-Backbone interact. energy: -0.158
local terms energy: -76.769660
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -8.685
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.102 (S_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: -328.885350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.885350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.909749 (E_RNA)
where:
Base-Base interactions energy: -206.962
where: short stacking energy: -99.388
Base-Backbone interact. energy: -0.007
local terms energy: -121.941122
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -20.417
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -340.219731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.219731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.225356 (E_RNA)
where:
Base-Base interactions energy: -232.913
where: short stacking energy: -104.996
Base-Backbone interact. energy: -0.163
local terms energy: -107.149821
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -31.084
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -319.459751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.459751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.625920 (E_RNA)
where:
Base-Base interactions energy: -214.979
where: short stacking energy: -90.584
Base-Backbone interact. energy: -0.127
local terms energy: -104.519515
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -23.991
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -29.670
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -304.611656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.611656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.662106 (E_RNA)
where:
Base-Base interactions energy: -201.871
where: short stacking energy: -84.979
Base-Backbone interact. energy: -0.218
local terms energy: -102.572377
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -281.304395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.304395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.332332 (E_RNA)
where:
Base-Base interactions energy: -180.549
where: short stacking energy: -89.790
Base-Backbone interact. energy: 0.425
local terms energy: -101.207926
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -260.487469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.487469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.567949 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -83.285
Base-Backbone interact. energy: -0.161
local terms energy: -86.094573
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.080 (S_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: 326
Temperature: 1.200000
Total energy: -241.092566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.092566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.230452 (E_RNA)
where:
Base-Base interactions energy: -155.537
where: short stacking energy: -79.827
Base-Backbone interact. energy: -0.247
local terms energy: -85.446367
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.138 (S_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: 326
Temperature: 1.250000
Total energy: -229.009670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.009670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.022313 (E_RNA)
where:
Base-Base interactions energy: -139.292
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.343
local terms energy: -89.387886
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -250.535197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.535197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.676018 (E_RNA)
where:
Base-Base interactions energy: -166.581
where: short stacking energy: -75.371
Base-Backbone interact. energy: -0.194
local terms energy: -83.900756
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.141 (S_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: 326
Temperature: 1.350000
Total energy: -227.547682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.547682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.616712 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.202
local terms energy: -81.103958
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.069 (S_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: -331.996629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.996629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.003381 (E_RNA)
where:
Base-Base interactions energy: -213.763
where: short stacking energy: -100.144
Base-Backbone interact. energy: -0.044
local terms energy: -118.195725
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -337.511446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.541660 (E_RNA)
where:
Base-Base interactions energy: -223.769
where: short stacking energy: -114.365
Base-Backbone interact. energy: -0.142
local terms energy: -113.630730
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -31.359
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -321.796257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.796257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.979230 (E_RNA)
where:
Base-Base interactions energy: -213.414
where: short stacking energy: -99.221
Base-Backbone interact. energy: -0.222
local terms energy: -108.343617
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.183 (S_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: 327
Temperature: 1.050000
Total energy: -292.129313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.129313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.300342 (E_RNA)
where:
Base-Base interactions energy: -191.000
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.112
local terms energy: -101.188397
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -248.917212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.917212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.025850 (E_RNA)
where:
Base-Base interactions energy: -160.636
where: short stacking energy: -70.493
Base-Backbone interact. energy: -0.974
local terms energy: -87.415788
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -261.928754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.928754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.934108 (E_RNA)
where:
Base-Base interactions energy: -165.274
where: short stacking energy: -83.646
Base-Backbone interact. energy: -0.044
local terms energy: -96.615548
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.005 (S_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: 327
Temperature: 1.200000
Total energy: -249.262516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.262516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.277763 (E_RNA)
where:
Base-Base interactions energy: -154.510
where: short stacking energy: -76.445
Base-Backbone interact. energy: -0.580
local terms energy: -94.187687
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -237.303898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.303898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.357945 (E_RNA)
where:
Base-Base interactions energy: -158.855
where: short stacking energy: -76.664
Base-Backbone interact. energy: 0.800
local terms energy: -79.302735
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.054 (S_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: 327
Temperature: 1.300000
Total energy: -224.501811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.501811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.720209 (E_RNA)
where:
Base-Base interactions energy: -134.404
where: short stacking energy: -54.733
Base-Backbone interact. energy: -0.144
local terms energy: -90.172343
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.218 (S_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: 327
Temperature: 1.350000
Total energy: -223.515716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.515716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.658752 (E_RNA)
where:
Base-Base interactions energy: -137.194
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.170
local terms energy: -86.294708
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -341.635900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.635900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.811997 (E_RNA)
where:
Base-Base interactions energy: -226.409
where: short stacking energy: -109.063
Base-Backbone interact. energy: -0.036
local terms energy: -115.367144
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. 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: -323.863841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.863841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.863841 (E_RNA)
where:
Base-Base interactions energy: -215.598
where: short stacking energy: -99.984
Base-Backbone interact. energy: -0.270
local terms energy: -107.995154
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -317.563317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.563317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.563317 (E_RNA)
where:
Base-Base interactions energy: -210.574
where: short stacking energy: -96.248
Base-Backbone interact. energy: -0.260
local terms energy: -106.729445
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -28.241
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -316.263661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.263661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.392933 (E_RNA)
where:
Base-Base interactions energy: -210.629
where: short stacking energy: -105.743
Base-Backbone interact. energy: 0.513
local terms energy: -106.276103
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.129 (S_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: 328
Temperature: 1.100000
Total energy: -266.460641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.460641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.482961 (E_RNA)
where:
Base-Base interactions energy: -168.485
where: short stacking energy: -79.916
Base-Backbone interact. energy: -0.010
local terms energy: -97.988089
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -260.061438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.061438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.066824 (E_RNA)
where:
Base-Base interactions energy: -159.066
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.749
local terms energy: -100.251832
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.005 (S_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: 328
Temperature: 1.200000
Total energy: -269.645491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.645491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.775825 (E_RNA)
where:
Base-Base interactions energy: -185.071
where: short stacking energy: -84.426
Base-Backbone interact. energy: 0.187
local terms energy: -84.891523
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -237.284000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.284000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.669414 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -82.031
Base-Backbone interact. energy: -0.250
local terms energy: -87.892508
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -249.769696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.769696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.805406 (E_RNA)
where:
Base-Base interactions energy: -164.945
where: short stacking energy: -77.334
Base-Backbone interact. energy: -0.422
local terms energy: -84.437620
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.036 (S_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: 328
Temperature: 1.350000
Total energy: -219.852732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.039402 (E_RNA)
where:
Base-Base interactions energy: -152.382
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.079
local terms energy: -67.577676
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -351.702085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.702085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.836140 (E_RNA)
where:
Base-Base interactions energy: -231.990
where: short stacking energy: -118.391
Base-Backbone interact. energy: -0.014
local terms energy: -119.832434
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -36.105
Dist. restrs. and SS energy: 0.134 (S_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: 329
Temperature: 0.950000
Total energy: -336.737969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.737969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.737969 (E_RNA)
where:
Base-Base interactions energy: -221.106
where: short stacking energy: -108.679
Base-Backbone interact. energy: -0.052
local terms energy: -115.580580
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -35.799
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -320.993981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.993981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.128081 (E_RNA)
where:
Base-Base interactions energy: -223.252
where: short stacking energy: -108.555
Base-Backbone interact. energy: -0.117
local terms energy: -97.758677
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.134 (S_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: 329
Temperature: 1.050000
Total energy: -284.990264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.990264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.037590 (E_RNA)
where:
Base-Base interactions energy: -184.948
where: short stacking energy: -90.057
Base-Backbone interact. energy: -0.452
local terms energy: -99.637738
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -306.690688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.690688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.839488 (E_RNA)
where:
Base-Base interactions energy: -208.188
where: short stacking energy: -98.075
Base-Backbone interact. energy: -0.015
local terms energy: -98.636081
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -27.836
Dist. restrs. and SS energy: 0.149 (S_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: 329
Temperature: 1.150000
Total energy: -254.444573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.444573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.541821 (E_RNA)
where:
Base-Base interactions energy: -157.182
where: short stacking energy: -74.191
Base-Backbone interact. energy: -1.623
local terms energy: -95.737018
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. 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: -246.862077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.973729 (E_RNA)
where:
Base-Base interactions energy: -150.123
where: short stacking energy: -78.886
Base-Backbone interact. energy: -0.103
local terms energy: -96.748030
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. 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: -250.685966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.685966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.758749 (E_RNA)
where:
Base-Base interactions energy: -159.782
where: short stacking energy: -87.662
Base-Backbone interact. energy: -0.212
local terms energy: -90.764783
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -232.044573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.044573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.081164 (E_RNA)
where:
Base-Base interactions energy: -149.073
where: short stacking energy: -69.552
Base-Backbone interact. energy: -1.934
local terms energy: -81.074342
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.037 (S_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: 329
Temperature: 1.350000
Total energy: -232.082519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.082519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.087099 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.300
local terms energy: -86.471537
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -348.110317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.110317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.239965 (E_RNA)
where:
Base-Base interactions energy: -230.847
where: short stacking energy: -108.420
Base-Backbone interact. energy: -0.239
local terms energy: -117.153513
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -31.443
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -342.502101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.502101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.502101 (E_RNA)
where:
Base-Base interactions energy: -219.391
where: short stacking energy: -110.040
Base-Backbone interact. energy: -0.007
local terms energy: -123.104652
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -34.281
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -314.377985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.377985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.467930 (E_RNA)
where:
Base-Base interactions energy: -211.581
where: short stacking energy: -104.057
Base-Backbone interact. energy: 0.662
local terms energy: -103.548998
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.090 (S_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: 330
Temperature: 1.050000
Total energy: -292.875372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.875372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.143256 (E_RNA)
where:
Base-Base interactions energy: -185.718
where: short stacking energy: -89.211
Base-Backbone interact. energy: -0.653
local terms energy: -106.771766
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. 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: -305.903390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.903390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.968062 (E_RNA)
where:
Base-Base interactions energy: -190.403
where: short stacking energy: -93.033
Base-Backbone interact. energy: -0.001
local terms energy: -115.564590
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -32.456
Dist. restrs. and SS energy: 0.065 (S_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: -267.683535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.683535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.683935 (E_RNA)
where:
Base-Base interactions energy: -168.099
where: short stacking energy: -87.476
Base-Backbone interact. energy: -0.108
local terms energy: -99.476475
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -21.423
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: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -249.875494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.875494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.932360 (E_RNA)
where:
Base-Base interactions energy: -161.341
where: short stacking energy: -80.803
Base-Backbone interact. energy: -0.586
local terms energy: -88.004506
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -232.862564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.862564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.862564 (E_RNA)
where:
Base-Base interactions energy: -147.967
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.324
local terms energy: -84.571393
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -228.114251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.114251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.317186 (E_RNA)
where:
Base-Base interactions energy: -141.846
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.898
local terms energy: -85.572504
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -221.052419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.052419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.112384 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -67.152
Base-Backbone interact. energy: 0.510
local terms energy: -74.296476
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -344.532677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.532677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.631829 (E_RNA)
where:
Base-Base interactions energy: -235.729
where: short stacking energy: -106.848
Base-Backbone interact. energy: -0.002
local terms energy: -108.901261
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -32.100
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -339.761248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.761248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.761248 (E_RNA)
where:
Base-Base interactions energy: -221.295
where: short stacking energy: -115.331
Base-Backbone interact. energy: -0.097
local terms energy: -118.368952
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -34.065
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -326.203253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.203253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.203253 (E_RNA)
where:
Base-Base interactions energy: -219.676
where: short stacking energy: -91.277
Base-Backbone interact. energy: 0.877
local terms energy: -107.404059
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -298.537934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.537934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.579470 (E_RNA)
where:
Base-Base interactions energy: -198.253
where: short stacking energy: -88.952
Base-Backbone interact. energy: -0.061
local terms energy: -100.265823
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. 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: -272.004823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.004823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.057887 (E_RNA)
where:
Base-Base interactions energy: -178.290
where: short stacking energy: -76.908
Base-Backbone interact. energy: -0.446
local terms energy: -93.321847
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.053 (S_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: -260.146284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.146284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.154721 (E_RNA)
where:
Base-Base interactions energy: -171.944
where: short stacking energy: -82.208
Base-Backbone interact. energy: -0.073
local terms energy: -88.137592
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.008 (S_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: 331
Temperature: 1.200000
Total energy: -241.793856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.793856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.920221 (E_RNA)
where:
Base-Base interactions energy: -154.396
where: short stacking energy: -76.524
Base-Backbone interact. energy: -0.228
local terms energy: -87.296211
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -239.464807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.464807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.513507 (E_RNA)
where:
Base-Base interactions energy: -158.244
where: short stacking energy: -79.579
Base-Backbone interact. energy: 0.916
local terms energy: -82.185263
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.049 (S_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: 331
Temperature: 1.300000
Total energy: -235.515286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.515286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.697396 (E_RNA)
where:
Base-Base interactions energy: -148.757
where: short stacking energy: -72.274
Base-Backbone interact. energy: -0.220
local terms energy: -86.720730
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -213.402884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.402884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.452091 (E_RNA)
where:
Base-Base interactions energy: -137.822
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.245
local terms energy: -75.384960
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -342.844816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.844816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.944580 (E_RNA)
where:
Base-Base interactions energy: -223.673
where: short stacking energy: -109.053
Base-Backbone interact. energy: -0.318
local terms energy: -118.953430
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.100 (S_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: 332
Temperature: 0.950000
Total energy: -332.506999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.506999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.506999 (E_RNA)
where:
Base-Base interactions energy: -223.998
where: short stacking energy: -112.926
Base-Backbone interact. energy: 0.960
local terms energy: -109.468733
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -28.735
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -309.569256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.569256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.670767 (E_RNA)
where:
Base-Base interactions energy: -211.953
where: short stacking energy: -101.205
Base-Backbone interact. energy: 2.097
local terms energy: -99.814701
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -26.418
Dist. restrs. and SS energy: 0.102 (S_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: 332
Temperature: 1.050000
Total energy: -322.328461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.328461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.469025 (E_RNA)
where:
Base-Base interactions energy: -228.588
where: short stacking energy: -96.043
Base-Backbone interact. energy: 0.721
local terms energy: -94.602179
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -266.781769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.781769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.804851 (E_RNA)
where:
Base-Base interactions energy: -179.419
where: short stacking energy: -77.927
Base-Backbone interact. energy: -0.016
local terms energy: -87.369855
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.023 (S_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: 332
Temperature: 1.150000
Total energy: -260.238513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.238513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.240106 (E_RNA)
where:
Base-Base interactions energy: -168.251
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.133
local terms energy: -91.856606
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. 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: -240.589319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.589319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.777723 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.197
local terms energy: -93.190328
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. 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: -236.614826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.614826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.807284 (E_RNA)
where:
Base-Base interactions energy: -146.531
where: short stacking energy: -74.515
Base-Backbone interact. energy: -0.088
local terms energy: -90.187845
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -220.479540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.479540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.554162 (E_RNA)
where:
Base-Base interactions energy: -136.331
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.867
local terms energy: -83.356351
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.075 (S_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: 332
Temperature: 1.350000
Total energy: -216.413843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.684136 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.057
local terms energy: -74.644857
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -346.672425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.672425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.763811 (E_RNA)
where:
Base-Base interactions energy: -229.287
where: short stacking energy: -119.418
Base-Backbone interact. energy: -0.210
local terms energy: -117.267163
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -35.698
Dist. restrs. and SS energy: 0.091 (S_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: 333
Temperature: 0.950000
Total energy: -322.124645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.124645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.124645 (E_RNA)
where:
Base-Base interactions energy: -208.641
where: short stacking energy: -93.136
Base-Backbone interact. energy: -0.312
local terms energy: -113.171479
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -28.150
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -322.196922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.196922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.249063 (E_RNA)
where:
Base-Base interactions energy: -219.158
where: short stacking energy: -97.719
Base-Backbone interact. energy: -0.348
local terms energy: -102.742736
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -29.203
Dist. restrs. and SS energy: 0.052 (S_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: 333
Temperature: 1.050000
Total energy: -306.843882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.843882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.914447 (E_RNA)
where:
Base-Base interactions energy: -203.368
where: short stacking energy: -98.922
Base-Backbone interact. energy: -0.452
local terms energy: -103.094565
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -23.618
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -272.167187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.167187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.176434 (E_RNA)
where:
Base-Base interactions energy: -165.061
where: short stacking energy: -82.735
Base-Backbone interact. energy: -0.052
local terms energy: -107.063007
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. 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: -263.813568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.813568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.043527 (E_RNA)
where:
Base-Base interactions energy: -165.326
where: short stacking energy: -82.373
Base-Backbone interact. energy: -0.055
local terms energy: -98.662392
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.230 (S_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: 333
Temperature: 1.200000
Total energy: -259.380808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.380808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.441929 (E_RNA)
where:
Base-Base interactions energy: -165.783
where: short stacking energy: -84.819
Base-Backbone interact. energy: -0.509
local terms energy: -93.150415
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -250.388621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.388621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.564132 (E_RNA)
where:
Base-Base interactions energy: -155.040
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.166
local terms energy: -95.358456
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -189.639869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.639869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.257071 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -51.717
Base-Backbone interact. energy: -0.833
local terms energy: -79.936202
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -9.855
Dist. restrs. and SS energy: 2.617 (S_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: 333
Temperature: 1.350000
Total energy: -217.569207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.569207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.629518 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.089
local terms energy: -80.534576
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -346.380099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.380099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.491025 (E_RNA)
where:
Base-Base interactions energy: -235.571
where: short stacking energy: -101.576
Base-Backbone interact. energy: -0.094
local terms energy: -110.825844
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -29.561
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -340.454413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.454413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.479740 (E_RNA)
where:
Base-Base interactions energy: -226.212
where: short stacking energy: -107.417
Base-Backbone interact. energy: -0.123
local terms energy: -114.144581
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -29.620
Dist. restrs. and SS energy: 0.025 (S_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: -318.773882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.773882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.939270 (E_RNA)
where:
Base-Base interactions energy: -210.412
where: short stacking energy: -111.162
Base-Backbone interact. energy: -0.004
local terms energy: -108.523401
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -316.086860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.086860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.149070 (E_RNA)
where:
Base-Base interactions energy: -208.257
where: short stacking energy: -100.163
Base-Backbone interact. energy: -0.114
local terms energy: -107.778064
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -262.938207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.938207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.938207 (E_RNA)
where:
Base-Base interactions energy: -168.419
where: short stacking energy: -80.977
Base-Backbone interact. energy: -0.308
local terms energy: -94.211337
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -257.414004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.414004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.586383 (E_RNA)
where:
Base-Base interactions energy: -154.928
where: short stacking energy: -86.743
Base-Backbone interact. energy: 0.960
local terms energy: -103.618348
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.172 (S_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: 334
Temperature: 1.200000
Total energy: -275.811746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.811746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.913718 (E_RNA)
where:
Base-Base interactions energy: -182.946
where: short stacking energy: -86.103
Base-Backbone interact. energy: -0.181
local terms energy: -92.786931
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -231.013371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.013371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.033663 (E_RNA)
where:
Base-Base interactions energy: -151.381
where: short stacking energy: -65.853
Base-Backbone interact. energy: -1.323
local terms energy: -78.330012
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.020 (S_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: 334
Temperature: 1.300000
Total energy: -219.033166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.033166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.037282 (E_RNA)
where:
Base-Base interactions energy: -136.444
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.020
local terms energy: -82.572667
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.004 (S_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: 334
Temperature: 1.350000
Total energy: -205.961182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.961182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.139127 (E_RNA)
where:
Base-Base interactions energy: -128.960
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.202
local terms energy: -76.977392
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.178 (S_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: 335
Temperature: 0.900000
Total energy: -341.036535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.036535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.036535 (E_RNA)
where:
Base-Base interactions energy: -226.356
where: short stacking energy: -94.584
Base-Backbone interact. energy: -0.115
local terms energy: -114.565645
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -26.823
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -331.387622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.387622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.418766 (E_RNA)
where:
Base-Base interactions energy: -216.414
where: short stacking energy: -98.877
Base-Backbone interact. energy: -0.084
local terms energy: -114.920825
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -335.619150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.619150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.643527 (E_RNA)
where:
Base-Base interactions energy: -223.341
where: short stacking energy: -106.347
Base-Backbone interact. energy: -0.123
local terms energy: -112.179998
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -29.606
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -312.271528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.271528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.273250 (E_RNA)
where:
Base-Base interactions energy: -201.817
where: short stacking energy: -88.545
Base-Backbone interact. energy: -0.049
local terms energy: -110.406868
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -259.831477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.831477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.057778 (E_RNA)
where:
Base-Base interactions energy: -164.702
where: short stacking energy: -86.022
Base-Backbone interact. energy: -0.106
local terms energy: -95.250078
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.226 (S_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: 335
Temperature: 1.150000
Total energy: -271.709185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.709185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.959127 (E_RNA)
where:
Base-Base interactions energy: -178.063
where: short stacking energy: -84.160
Base-Backbone interact. energy: -0.227
local terms energy: -93.669716
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. 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: -244.494613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.494613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.632182 (E_RNA)
where:
Base-Base interactions energy: -155.149
where: short stacking energy: -78.566
Base-Backbone interact. energy: 4.104
local terms energy: -93.587569
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.138 (S_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: 335
Temperature: 1.250000
Total energy: -245.007518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.007518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.007518 (E_RNA)
where:
Base-Base interactions energy: -153.730
where: short stacking energy: -72.950
Base-Backbone interact. energy: 0.253
local terms energy: -91.530390
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -22.721
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: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -229.580521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.580521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.777309 (E_RNA)
where:
Base-Base interactions energy: -138.855
where: short stacking energy: -68.653
Base-Backbone interact. energy: -0.080
local terms energy: -90.842525
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.197 (S_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: 335
Temperature: 1.350000
Total energy: -219.813478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.813478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.084544 (E_RNA)
where:
Base-Base interactions energy: -137.830
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.171
local terms energy: -82.083248
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -341.250741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.250741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.272966 (E_RNA)
where:
Base-Base interactions energy: -225.900
where: short stacking energy: -111.214
Base-Backbone interact. energy: -0.067
local terms energy: -115.305302
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.022 (S_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: 336
Temperature: 0.950000
Total energy: -318.092790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.092790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.574291 (E_RNA)
where:
Base-Base interactions energy: -203.750
where: short stacking energy: -103.093
Base-Backbone interact. energy: 0.168
local terms energy: -114.992226
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.482 (S_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: 336
Temperature: 1.000000
Total energy: -312.591561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.591561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.383792 (E_RNA)
where:
Base-Base interactions energy: -210.875
where: short stacking energy: -100.012
Base-Backbone interact. energy: -0.050
local terms energy: -102.458826
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -301.889589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.889589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.919873 (E_RNA)
where:
Base-Base interactions energy: -203.247
where: short stacking energy: -86.141
Base-Backbone interact. energy: -0.403
local terms energy: -98.270544
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -300.898226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.898226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.949167 (E_RNA)
where:
Base-Base interactions energy: -202.165
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.103
local terms energy: -98.680598
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 0.051 (S_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: -242.878096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.878096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.034415 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -68.421
Base-Backbone interact. energy: -0.483
local terms energy: -89.758175
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.156 (S_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: 336
Temperature: 1.200000
Total energy: -255.803099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.803099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.025798 (E_RNA)
where:
Base-Base interactions energy: -170.634
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.958
local terms energy: -84.433595
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -249.350137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.350137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.557018 (E_RNA)
where:
Base-Base interactions energy: -165.031
where: short stacking energy: -78.201
Base-Backbone interact. energy: -0.532
local terms energy: -83.993473
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -235.924615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.924615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.067334 (E_RNA)
where:
Base-Base interactions energy: -151.056
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.053
local terms energy: -84.957954
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.143 (S_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: 336
Temperature: 1.350000
Total energy: -226.989962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.989962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.155917 (E_RNA)
where:
Base-Base interactions energy: -147.353
where: short stacking energy: -77.891
Base-Backbone interact. energy: 0.389
local terms energy: -80.191455
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -339.463138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.463138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.464062 (E_RNA)
where:
Base-Base interactions energy: -224.963
where: short stacking energy: -100.201
Base-Backbone interact. energy: -0.143
local terms energy: -114.358039
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -320.756115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.756115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.813803 (E_RNA)
where:
Base-Base interactions energy: -216.325
where: short stacking energy: -104.387
Base-Backbone interact. energy: -0.029
local terms energy: -104.459251
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.058 (S_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: 337
Temperature: 1.000000
Total energy: -319.502367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.502367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.514992 (E_RNA)
where:
Base-Base interactions energy: -218.605
where: short stacking energy: -99.681
Base-Backbone interact. energy: -0.118
local terms energy: -100.791368
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -309.541398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.541398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.797268 (E_RNA)
where:
Base-Base interactions energy: -208.749
where: short stacking energy: -94.425
Base-Backbone interact. energy: -0.080
local terms energy: -100.969040
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.256 (S_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: 337
Temperature: 1.100000
Total energy: -271.195502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.195502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.225509 (E_RNA)
where:
Base-Base interactions energy: -170.980
where: short stacking energy: -72.941
Base-Backbone interact. energy: -0.245
local terms energy: -100.000827
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -255.334653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.334653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.388457 (E_RNA)
where:
Base-Base interactions energy: -171.039
where: short stacking energy: -79.948
Base-Backbone interact. energy: -0.393
local terms energy: -83.956560
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.054 (S_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: 337
Temperature: 1.200000
Total energy: -242.913492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.913492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.925053 (E_RNA)
where:
Base-Base interactions energy: -155.900
where: short stacking energy: -75.945
Base-Backbone interact. energy: -0.126
local terms energy: -86.899085
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -23.377
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -246.902977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.902977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.911716 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -79.068
Base-Backbone interact. energy: -0.285
local terms energy: -89.612359
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -230.027135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.027135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.167754 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.281
local terms energy: -95.658378
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.141 (S_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: 337
Temperature: 1.350000
Total energy: -231.459832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.459832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.562105 (E_RNA)
where:
Base-Base interactions energy: -161.011
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.125
local terms energy: -70.426479
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.102 (S_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: 338
Temperature: 0.900000
Total energy: -324.530462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.530462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.589842 (E_RNA)
where:
Base-Base interactions energy: -211.555
where: short stacking energy: -104.260
Base-Backbone interact. energy: 0.451
local terms energy: -113.485087
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -30.451
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -348.657328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.657328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.657328 (E_RNA)
where:
Base-Base interactions energy: -231.189
where: short stacking energy: -103.179
Base-Backbone interact. energy: -0.075
local terms energy: -117.393957
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -301.349394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.349394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.840980 (E_RNA)
where:
Base-Base interactions energy: -206.320
where: short stacking energy: -101.711
Base-Backbone interact. energy: 0.220
local terms energy: -96.740439
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 1.492 (S_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: 338
Temperature: 1.050000
Total energy: -312.637573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.637573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.708189 (E_RNA)
where:
Base-Base interactions energy: -209.237
where: short stacking energy: -96.394
Base-Backbone interact. energy: -0.092
local terms energy: -103.379143
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -286.485027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.485027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.521755 (E_RNA)
where:
Base-Base interactions energy: -180.374
where: short stacking energy: -97.693
Base-Backbone interact. energy: -0.584
local terms energy: -105.564010
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -31.688
Dist. restrs. and SS energy: 0.037 (S_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: 338
Temperature: 1.150000
Total energy: -262.516521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.516521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.579058 (E_RNA)
where:
Base-Base interactions energy: -165.616
where: short stacking energy: -82.292
Base-Backbone interact. energy: -0.242
local terms energy: -96.721473
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. 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: -239.272503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.272503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.329888 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -76.462
Base-Backbone interact. energy: -0.260
local terms energy: -86.712715
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -233.851029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.851029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.924475 (E_RNA)
where:
Base-Base interactions energy: -143.616
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.455
local terms energy: -89.853723
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -212.718935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.744320 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.353
local terms energy: -79.717975
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -236.553918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.553918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.599678 (E_RNA)
where:
Base-Base interactions energy: -144.812
where: short stacking energy: -69.361
Base-Backbone interact. energy: -0.619
local terms energy: -91.169373
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.046 (S_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: 339
Temperature: 0.900000
Total energy: -336.212128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.212128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.427805 (E_RNA)
where:
Base-Base interactions energy: -222.116
where: short stacking energy: -111.818
Base-Backbone interact. energy: -0.002
local terms energy: -114.309825
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -29.660
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -330.524791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.524791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.740219 (E_RNA)
where:
Base-Base interactions energy: -227.343
where: short stacking energy: -101.304
Base-Backbone interact. energy: -0.358
local terms energy: -103.038821
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -312.672528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.672528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.801868 (E_RNA)
where:
Base-Base interactions energy: -213.884
where: short stacking energy: -96.282
Base-Backbone interact. energy: -0.193
local terms energy: -98.725131
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.129 (S_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: 339
Temperature: 1.050000
Total energy: -309.891671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.891671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.892962 (E_RNA)
where:
Base-Base interactions energy: -211.466
where: short stacking energy: -93.524
Base-Backbone interact. energy: -0.816
local terms energy: -97.610915
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -294.437827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.437827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.543622 (E_RNA)
where:
Base-Base interactions energy: -188.944
where: short stacking energy: -100.128
Base-Backbone interact. energy: 0.017
local terms energy: -105.616504
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. 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: -235.146795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.146795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.176488 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -65.020
Base-Backbone interact. energy: 0.604
local terms energy: -94.818939
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -256.289342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.289342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.404084 (E_RNA)
where:
Base-Base interactions energy: -159.860
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.194
local terms energy: -96.350283
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. 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: -229.802018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.802018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.810112 (E_RNA)
where:
Base-Base interactions energy: -144.916
where: short stacking energy: -72.640
Base-Backbone interact. energy: -0.107
local terms energy: -84.787469
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -226.719804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.719804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.789223 (E_RNA)
where:
Base-Base interactions energy: -145.860
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.589
local terms energy: -80.340874
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -211.859989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.859989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.899875 (E_RNA)
where:
Base-Base interactions energy: -138.678
where: short stacking energy: -66.164
Base-Backbone interact. energy: 0.245
local terms energy: -73.467091
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.040 (S_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: 340
Temperature: 0.900000
Total energy: -336.236470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.236470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.312009 (E_RNA)
where:
Base-Base interactions energy: -224.678
where: short stacking energy: -110.056
Base-Backbone interact. energy: -0.015
local terms energy: -111.618371
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -31.645
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. 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: -336.813746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.813746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.020311 (E_RNA)
where:
Base-Base interactions energy: -224.919
where: short stacking energy: -101.084
Base-Backbone interact. energy: -0.051
local terms energy: -112.050917
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -26.675
Dist. restrs. and SS energy: 0.207 (S_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: 340
Temperature: 1.000000
Total energy: -322.870104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.870104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.880798 (E_RNA)
where:
Base-Base interactions energy: -219.417
where: short stacking energy: -100.345
Base-Backbone interact. energy: -0.268
local terms energy: -103.196514
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -319.983318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.983318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.984731 (E_RNA)
where:
Base-Base interactions energy: -212.123
where: short stacking energy: -87.990
Base-Backbone interact. energy: -0.233
local terms energy: -107.628853
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -316.277360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.277360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.293845 (E_RNA)
where:
Base-Base interactions energy: -216.151
where: short stacking energy: -102.272
Base-Backbone interact. energy: -0.100
local terms energy: -100.042131
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. 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: -244.990585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.990585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.990585 (E_RNA)
where:
Base-Base interactions energy: -152.237
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.180
local terms energy: -92.573472
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -252.018992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.018992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.324866 (E_RNA)
where:
Base-Base interactions energy: -166.021
where: short stacking energy: -79.150
Base-Backbone interact. energy: -0.482
local terms energy: -85.821911
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. 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: -233.935515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.935515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.270398 (E_RNA)
where:
Base-Base interactions energy: -148.240
where: short stacking energy: -77.535
Base-Backbone interact. energy: 0.761
local terms energy: -86.790829
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -221.370594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.370594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.695999 (E_RNA)
where:
Base-Base interactions energy: -140.993
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.010
local terms energy: -80.693882
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -212.274993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.274993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.747776 (E_RNA)
where:
Base-Base interactions energy: -138.417
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.572
local terms energy: -73.758996
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.473 (S_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: 341
Temperature: 0.900000
Total energy: -336.662554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.662554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.698162 (E_RNA)
where:
Base-Base interactions energy: -227.229
where: short stacking energy: -102.790
Base-Backbone interact. energy: -0.041
local terms energy: -109.427527
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -324.853311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.853311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.903805 (E_RNA)
where:
Base-Base interactions energy: -226.039
where: short stacking energy: -106.167
Base-Backbone interact. energy: -0.083
local terms energy: -98.781259
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -31.684
Dist. restrs. and SS energy: 0.050 (S_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: 341
Temperature: 1.000000
Total energy: -299.497775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.497775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.622001 (E_RNA)
where:
Base-Base interactions energy: -196.713
where: short stacking energy: -89.418
Base-Backbone interact. energy: -0.166
local terms energy: -102.743474
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -302.427445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.427445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.454646 (E_RNA)
where:
Base-Base interactions energy: -195.098
where: short stacking energy: -103.225
Base-Backbone interact. energy: -0.123
local terms energy: -107.234300
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. 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: -307.339969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.339969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.371454 (E_RNA)
where:
Base-Base interactions energy: -201.169
where: short stacking energy: -97.278
Base-Backbone interact. energy: -0.108
local terms energy: -106.094967
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -27.481
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -255.416742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.416742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.584448 (E_RNA)
where:
Base-Base interactions energy: -163.653
where: short stacking energy: -78.381
Base-Backbone interact. energy: -0.307
local terms energy: -91.624498
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -253.191629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.191629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.404793 (E_RNA)
where:
Base-Base interactions energy: -155.356
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.326
local terms energy: -97.722965
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -237.646573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.646573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.759802 (E_RNA)
where:
Base-Base interactions energy: -148.899
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.142
local terms energy: -88.718075
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -214.022924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.022924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.034715 (E_RNA)
where:
Base-Base interactions energy: -138.964
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.212
local terms energy: -74.858220
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -220.449189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.449189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.623484 (E_RNA)
where:
Base-Base interactions energy: -145.965
where: short stacking energy: -72.990
Base-Backbone interact. energy: -0.199
local terms energy: -74.459259
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.174 (S_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: -327.432474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.432474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.543846 (E_RNA)
where:
Base-Base interactions energy: -214.133
where: short stacking energy: -105.180
Base-Backbone interact. energy: -0.003
local terms energy: -113.407256
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -30.909
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -325.062368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.062368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.128562 (E_RNA)
where:
Base-Base interactions energy: -211.820
where: short stacking energy: -101.596
Base-Backbone interact. energy: -0.002
local terms energy: -113.306147
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -32.108
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -325.432269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.432269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.502834 (E_RNA)
where:
Base-Base interactions energy: -205.594
where: short stacking energy: -105.035
Base-Backbone interact. energy: -0.627
local terms energy: -119.281934
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -32.404
Dist. restrs. and SS energy: 0.071 (S_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: 342
Temperature: 1.050000
Total energy: -282.045633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.045633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.259913 (E_RNA)
where:
Base-Base interactions energy: -178.579
where: short stacking energy: -90.838
Base-Backbone interact. energy: -0.101
local terms energy: -103.580186
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -26.213
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. 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: -286.245043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.245043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.331460 (E_RNA)
where:
Base-Base interactions energy: -193.006
where: short stacking energy: -77.907
Base-Backbone interact. energy: -0.841
local terms energy: -92.484143
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.086 (S_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: 342
Temperature: 1.150000
Total energy: -250.730739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.730739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.730739 (E_RNA)
where:
Base-Base interactions energy: -155.681
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.346
local terms energy: -94.703825
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -235.395139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.395139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.736169 (E_RNA)
where:
Base-Base interactions energy: -144.628
where: short stacking energy: -67.563
Base-Backbone interact. energy: -0.163
local terms energy: -90.944352
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -248.599177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.599177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.771196 (E_RNA)
where:
Base-Base interactions energy: -163.478
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.165
local terms energy: -85.127569
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -248.871520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.871520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.956356 (E_RNA)
where:
Base-Base interactions energy: -159.144
where: short stacking energy: -75.341
Base-Backbone interact. energy: -0.103
local terms energy: -89.709091
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.085 (S_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: 342
Temperature: 1.350000
Total energy: -220.189679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.189679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.421888 (E_RNA)
where:
Base-Base interactions energy: -132.391
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.160
local terms energy: -87.871459
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.232 (S_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: -331.516115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.516115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.551020 (E_RNA)
where:
Base-Base interactions energy: -216.755
where: short stacking energy: -107.311
Base-Backbone interact. energy: -0.063
local terms energy: -114.733194
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -31.106
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -327.234071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.234071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.517616 (E_RNA)
where:
Base-Base interactions energy: -211.904
where: short stacking energy: -105.163
Base-Backbone interact. energy: -0.061
local terms energy: -115.552691
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -321.912540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.951021 (E_RNA)
where:
Base-Base interactions energy: -214.363
where: short stacking energy: -103.471
Base-Backbone interact. energy: -0.016
local terms energy: -107.571722
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -33.951
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -304.960890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.960890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.168788 (E_RNA)
where:
Base-Base interactions energy: -197.113
where: short stacking energy: -98.741
Base-Backbone interact. energy: -0.599
local terms energy: -107.456392
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -31.650
Dist. restrs. and SS energy: 0.208 (S_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: 343
Temperature: 1.100000
Total energy: -267.672479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.672479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.895317 (E_RNA)
where:
Base-Base interactions energy: -169.673
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.119
local terms energy: -98.104258
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.223 (S_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: 343
Temperature: 1.150000
Total energy: -260.741133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.741133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.374904 (E_RNA)
where:
Base-Base interactions energy: -156.923
where: short stacking energy: -90.668
Base-Backbone interact. energy: -0.002
local terms energy: -104.450064
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -29.651
Dist. restrs. and SS energy: 0.634 (S_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: 343
Temperature: 1.200000
Total energy: -249.276259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.276259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.332449 (E_RNA)
where:
Base-Base interactions energy: -152.516
where: short stacking energy: -84.566
Base-Backbone interact. energy: -0.077
local terms energy: -96.740298
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -251.055930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.055930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.073360 (E_RNA)
where:
Base-Base interactions energy: -154.723
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.174
local terms energy: -96.176249
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -224.637489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.637489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.705364 (E_RNA)
where:
Base-Base interactions energy: -141.157
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.751
local terms energy: -82.797739
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.068 (S_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: 343
Temperature: 1.350000
Total energy: -208.457998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.457998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.000010 (E_RNA)
where:
Base-Base interactions energy: -126.958
where: short stacking energy: -63.767
Base-Backbone interact. energy: -0.192
local terms energy: -81.850415
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -347.266521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.266521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.320371 (E_RNA)
where:
Base-Base interactions energy: -227.253
where: short stacking energy: -111.336
Base-Backbone interact. energy: -0.137
local terms energy: -119.930590
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. 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: -340.261865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.261865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.281582 (E_RNA)
where:
Base-Base interactions energy: -231.352
where: short stacking energy: -103.958
Base-Backbone interact. energy: -0.213
local terms energy: -108.716880
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -28.784
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -330.147452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.147452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.235863 (E_RNA)
where:
Base-Base interactions energy: -213.210
where: short stacking energy: -105.370
Base-Backbone interact. energy: -0.875
local terms energy: -116.150607
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -328.282234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.282234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.318061 (E_RNA)
where:
Base-Base interactions energy: -215.419
where: short stacking energy: -103.470
Base-Backbone interact. energy: -0.010
local terms energy: -112.889665
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -34.643
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -303.322589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.322589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.348216 (E_RNA)
where:
Base-Base interactions energy: -195.278
where: short stacking energy: -90.795
Base-Backbone interact. energy: -0.121
local terms energy: -107.949513
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 0.026 (S_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: 344
Temperature: 1.150000
Total energy: -249.862411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.862411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.868588 (E_RNA)
where:
Base-Base interactions energy: -165.275
where: short stacking energy: -82.372
Base-Backbone interact. energy: -0.119
local terms energy: -84.474584
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.006 (S_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: 344
Temperature: 1.200000
Total energy: -236.524362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.524362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.524362 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.822
local terms energy: -88.861819
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -13.152
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: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -239.362756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.362756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.457134 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -72.792
Base-Backbone interact. energy: -0.616
local terms energy: -88.243038
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -250.458969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.458969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.465028 (E_RNA)
where:
Base-Base interactions energy: -163.619
where: short stacking energy: -80.001
Base-Backbone interact. energy: -0.219
local terms energy: -86.626897
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.006 (S_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: 344
Temperature: 1.350000
Total energy: -213.828057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828057 (E_RNA)
where:
Base-Base interactions energy: -132.494
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.448
local terms energy: -80.885737
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -14.217
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: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -340.064117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.064117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.103061 (E_RNA)
where:
Base-Base interactions energy: -225.231
where: short stacking energy: -114.394
Base-Backbone interact. energy: 0.290
local terms energy: -115.161702
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -32.151
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -339.947992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.947992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.971214 (E_RNA)
where:
Base-Base interactions energy: -223.321
where: short stacking energy: -106.265
Base-Backbone interact. energy: -0.009
local terms energy: -116.641027
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.023 (S_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: 345
Temperature: 1.000000
Total energy: -325.591571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.591571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.650976 (E_RNA)
where:
Base-Base interactions energy: -207.353
where: short stacking energy: -102.691
Base-Backbone interact. energy: -0.425
local terms energy: -117.873713
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -28.371
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -323.948748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.948748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.003975 (E_RNA)
where:
Base-Base interactions energy: -217.667
where: short stacking energy: -109.349
Base-Backbone interact. energy: -0.094
local terms energy: -106.243525
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -33.261
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -295.326139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.326139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.329357 (E_RNA)
where:
Base-Base interactions energy: -193.632
where: short stacking energy: -87.175
Base-Backbone interact. energy: -0.066
local terms energy: -101.630866
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -23.878
Dist. restrs. and SS energy: 0.003 (S_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: 345
Temperature: 1.150000
Total energy: -244.566438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.566438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.659198 (E_RNA)
where:
Base-Base interactions energy: -154.173
where: short stacking energy: -83.450
Base-Backbone interact. energy: -0.078
local terms energy: -90.408164
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.093 (S_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: 345
Temperature: 1.200000
Total energy: -239.349233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.349233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.408601 (E_RNA)
where:
Base-Base interactions energy: -155.403
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.587
local terms energy: -83.418480
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -265.210070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.210070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.265521 (E_RNA)
where:
Base-Base interactions energy: -174.100
where: short stacking energy: -88.318
Base-Backbone interact. energy: -0.642
local terms energy: -90.523848
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. 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: -219.110898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.268919 (E_RNA)
where:
Base-Base interactions energy: -147.938
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.047
local terms energy: -71.284652
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.158 (S_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: 345
Temperature: 1.350000
Total energy: -222.483578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.483578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.589814 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -79.012
Base-Backbone interact. energy: -0.122
local terms energy: -76.622058
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -334.578010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.578010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.619134 (E_RNA)
where:
Base-Base interactions energy: -223.398
where: short stacking energy: -108.086
Base-Backbone interact. energy: -0.109
local terms energy: -111.111849
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -32.966
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -346.049396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.049396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.049396 (E_RNA)
where:
Base-Base interactions energy: -223.036
where: short stacking energy: -105.260
Base-Backbone interact. energy: -0.095
local terms energy: -122.917754
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -17.028
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: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -333.758407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.758407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.758407 (E_RNA)
where:
Base-Base interactions energy: -213.564
where: short stacking energy: -109.041
Base-Backbone interact. energy: -1.009
local terms energy: -119.185757
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -34.303
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -315.684823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.684823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.726472 (E_RNA)
where:
Base-Base interactions energy: -209.795
where: short stacking energy: -96.241
Base-Backbone interact. energy: -0.305
local terms energy: -105.626892
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -280.715067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.715067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.817576 (E_RNA)
where:
Base-Base interactions energy: -185.953
where: short stacking energy: -79.734
Base-Backbone interact. energy: -0.356
local terms energy: -94.508246
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.103 (S_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: 346
Temperature: 1.150000
Total energy: -251.998351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.998351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.044483 (E_RNA)
where:
Base-Base interactions energy: -156.657
where: short stacking energy: -78.500
Base-Backbone interact. energy: -0.077
local terms energy: -95.310705
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.046 (S_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: 346
Temperature: 1.200000
Total energy: -250.820562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.820562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.879559 (E_RNA)
where:
Base-Base interactions energy: -162.307
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.297
local terms energy: -88.275038
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -244.040197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.040197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.073892 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -83.003
Base-Backbone interact. energy: -0.047
local terms energy: -91.449044
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -226.951017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.951017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.061219 (E_RNA)
where:
Base-Base interactions energy: -136.410
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.930
local terms energy: -89.720408
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.110 (S_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: 346
Temperature: 1.350000
Total energy: -214.516410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.733025 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -61.204
Base-Backbone interact. energy: -0.217
local terms energy: -76.649853
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -346.422230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.422230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.504886 (E_RNA)
where:
Base-Base interactions energy: -225.830
where: short stacking energy: -108.157
Base-Backbone interact. energy: -0.003
local terms energy: -120.671933
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -34.869
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. 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: -327.229733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.229733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.278302 (E_RNA)
where:
Base-Base interactions energy: -213.033
where: short stacking energy: -104.509
Base-Backbone interact. energy: -0.320
local terms energy: -113.925048
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -332.631844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.631844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.691635 (E_RNA)
where:
Base-Base interactions energy: -221.663
where: short stacking energy: -108.626
Base-Backbone interact. energy: -0.030
local terms energy: -110.998425
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -32.716
Dist. restrs. and SS energy: 0.060 (S_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: 347
Temperature: 1.050000
Total energy: -278.875916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.875916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.763225 (E_RNA)
where:
Base-Base interactions energy: -184.977
where: short stacking energy: -81.278
Base-Backbone interact. energy: -0.109
local terms energy: -95.677638
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 1.887 (S_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: 347
Temperature: 1.100000
Total energy: -313.526293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.526293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.541962 (E_RNA)
where:
Base-Base interactions energy: -211.557
where: short stacking energy: -100.135
Base-Backbone interact. energy: 1.491
local terms energy: -103.475924
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -32.019
Dist. restrs. and SS energy: 0.016 (S_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: 347
Temperature: 1.150000
Total energy: -256.644761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.644761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.716655 (E_RNA)
where:
Base-Base interactions energy: -160.316
where: short stacking energy: -80.835
Base-Backbone interact. energy: -0.036
local terms energy: -96.364414
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.072 (S_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: 347
Temperature: 1.200000
Total energy: -237.877573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.877573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.877573 (E_RNA)
where:
Base-Base interactions energy: -157.508
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.251
local terms energy: -80.118569
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -12.741
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: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -230.320200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.320200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.348869 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -66.501
Base-Backbone interact. energy: 1.579
local terms energy: -84.245138
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -237.133696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.133696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.416768 (E_RNA)
where:
Base-Base interactions energy: -153.869
where: short stacking energy: -79.365
Base-Backbone interact. energy: -0.263
local terms energy: -83.285474
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.283 (S_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: 347
Temperature: 1.350000
Total energy: -195.801145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.801145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.135766 (E_RNA)
where:
Base-Base interactions energy: -132.379
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.089
local terms energy: -63.668031
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -346.910836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.910836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.060444 (E_RNA)
where:
Base-Base interactions energy: -222.126
where: short stacking energy: -107.297
Base-Backbone interact. energy: -1.064
local terms energy: -123.870339
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -32.765
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -327.746063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.746063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.747871 (E_RNA)
where:
Base-Base interactions energy: -211.972
where: short stacking energy: -106.126
Base-Backbone interact. energy: -0.104
local terms energy: -115.672301
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -28.752
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -334.906014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.906014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.089332 (E_RNA)
where:
Base-Base interactions energy: -224.099
where: short stacking energy: -102.735
Base-Backbone interact. energy: -0.090
local terms energy: -110.900003
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -30.950
Dist. restrs. and SS energy: 0.183 (S_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: 348
Temperature: 1.050000
Total energy: -277.427948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.427948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.479123 (E_RNA)
where:
Base-Base interactions energy: -185.894
where: short stacking energy: -84.227
Base-Backbone interact. energy: -0.678
local terms energy: -90.906931
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -298.261875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.261875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.266273 (E_RNA)
where:
Base-Base interactions energy: -208.894
where: short stacking energy: -85.205
Base-Backbone interact. energy: -0.085
local terms energy: -89.287596
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -253.568708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.568708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.836543 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -86.406
Base-Backbone interact. energy: -0.367
local terms energy: -95.552991
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.268 (S_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: -240.149617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.149617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.308977 (E_RNA)
where:
Base-Base interactions energy: -152.052
where: short stacking energy: -67.161
Base-Backbone interact. energy: 1.022
local terms energy: -89.278644
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -12.182
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -223.480625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.480625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.667695 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -64.326
Base-Backbone interact. energy: 2.119
local terms energy: -90.004834
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -242.859877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.859877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.973373 (E_RNA)
where:
Base-Base interactions energy: -150.594
where: short stacking energy: -76.932
Base-Backbone interact. energy: -0.160
local terms energy: -92.219057
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.113 (S_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: 348
Temperature: 1.350000
Total energy: -197.653091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.653091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.706262 (E_RNA)
where:
Base-Base interactions energy: -131.803
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.254
local terms energy: -65.649418
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -340.963110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.963110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.348516 (E_RNA)
where:
Base-Base interactions energy: -225.202
where: short stacking energy: -108.025
Base-Backbone interact. energy: -0.059
local terms energy: -116.086628
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -28.468
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -321.807051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.807051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.908030 (E_RNA)
where:
Base-Base interactions energy: -213.330
where: short stacking energy: -94.645
Base-Backbone interact. energy: -0.378
local terms energy: -108.200757
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -336.663991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.663991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.752560 (E_RNA)
where:
Base-Base interactions energy: -223.640
where: short stacking energy: -109.302
Base-Backbone interact. energy: -0.093
local terms energy: -113.019502
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.089 (S_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: 349
Temperature: 1.050000
Total energy: -308.751401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.751401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.920453 (E_RNA)
where:
Base-Base interactions energy: -200.062
where: short stacking energy: -100.161
Base-Backbone interact. energy: -0.063
local terms energy: -108.794977
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.169 (S_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: 349
Temperature: 1.100000
Total energy: -273.183132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.183132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.291130 (E_RNA)
where:
Base-Base interactions energy: -167.211
where: short stacking energy: -83.919
Base-Backbone interact. energy: -0.120
local terms energy: -105.959393
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.108 (S_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: 349
Temperature: 1.150000
Total energy: -251.759833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.759833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.855241 (E_RNA)
where:
Base-Base interactions energy: -165.046
where: short stacking energy: -74.991
Base-Backbone interact. energy: 1.518
local terms energy: -88.327661
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -247.223314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.223314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.254094 (E_RNA)
where:
Base-Base interactions energy: -155.315
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.700
local terms energy: -91.239039
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -240.035636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.035636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.142637 (E_RNA)
where:
Base-Base interactions energy: -154.476
where: short stacking energy: -65.867
Base-Backbone interact. energy: 0.470
local terms energy: -86.137004
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -236.711371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.711371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.711371 (E_RNA)
where:
Base-Base interactions energy: -155.041
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.259
local terms energy: -81.411517
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -229.334732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.334732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.368230 (E_RNA)
where:
Base-Base interactions energy: -140.659
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.528
local terms energy: -88.181470
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -336.596934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.596934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.736129 (E_RNA)
where:
Base-Base interactions energy: -225.641
where: short stacking energy: -103.345
Base-Backbone interact. energy: -0.101
local terms energy: -110.994822
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -28.997
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -307.635263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.635263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.814097 (E_RNA)
where:
Base-Base interactions energy: -208.022
where: short stacking energy: -92.369
Base-Backbone interact. energy: -0.140
local terms energy: -99.652454
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.179 (S_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: 350
Temperature: 1.000000
Total energy: -314.431647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.431647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.497376 (E_RNA)
where:
Base-Base interactions energy: -209.628
where: short stacking energy: -94.005
Base-Backbone interact. energy: -0.812
local terms energy: -104.057242
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -322.393685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.393685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.393685 (E_RNA)
where:
Base-Base interactions energy: -213.167
where: short stacking energy: -95.963
Base-Backbone interact. energy: -0.066
local terms energy: -109.160497
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -268.697127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.717262 (E_RNA)
where:
Base-Base interactions energy: -176.373
where: short stacking energy: -74.339
Base-Backbone interact. energy: -0.215
local terms energy: -92.129473
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.020 (S_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: 350
Temperature: 1.150000
Total energy: -241.540225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.540225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.609006 (E_RNA)
where:
Base-Base interactions energy: -146.560
where: short stacking energy: -74.221
Base-Backbone interact. energy: -0.235
local terms energy: -94.814330
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.069 (S_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: 350
Temperature: 1.200000
Total energy: -251.065485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.065485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.115380 (E_RNA)
where:
Base-Base interactions energy: -159.653
where: short stacking energy: -85.664
Base-Backbone interact. energy: -0.222
local terms energy: -91.240653
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -238.850967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.850967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.965262 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -79.740
Base-Backbone interact. energy: 0.824
local terms energy: -90.838475
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -232.407488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.407488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.748600 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.127
local terms energy: -91.524270
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -227.301846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.301846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.366705 (E_RNA)
where:
Base-Base interactions energy: -139.401
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.343
local terms energy: -87.623117
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -330.273890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.273890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.414326 (E_RNA)
where:
Base-Base interactions energy: -222.114
where: short stacking energy: -106.529
Base-Backbone interact. energy: -0.963
local terms energy: -107.338096
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -338.514890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.514890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.568375 (E_RNA)
where:
Base-Base interactions energy: -225.703
where: short stacking energy: -109.810
Base-Backbone interact. energy: -0.008
local terms energy: -112.858193
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -32.932
Dist. restrs. and SS energy: 0.053 (S_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: 351
Temperature: 1.000000
Total energy: -314.011613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.011613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.011613 (E_RNA)
where:
Base-Base interactions energy: -208.292
where: short stacking energy: -96.021
Base-Backbone interact. energy: -0.360
local terms energy: -105.359483
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -321.250699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.250699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.297101 (E_RNA)
where:
Base-Base interactions energy: -215.547
where: short stacking energy: -100.480
Base-Backbone interact. energy: 1.789
local terms energy: -107.539913
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.046 (S_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: 351
Temperature: 1.100000
Total energy: -275.295897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.295897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.349045 (E_RNA)
where:
Base-Base interactions energy: -173.719
where: short stacking energy: -81.804
Base-Backbone interact. energy: -0.520
local terms energy: -101.110292
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.053 (S_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: -285.851265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.851265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.044183 (E_RNA)
where:
Base-Base interactions energy: -189.753
where: short stacking energy: -78.265
Base-Backbone interact. energy: -0.191
local terms energy: -96.099819
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.193 (S_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: -234.148426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.148426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.148426 (E_RNA)
where:
Base-Base interactions energy: -155.570
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.098
local terms energy: -78.480776
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -14.204
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: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -241.153728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.153728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.265039 (E_RNA)
where:
Base-Base interactions energy: -153.102
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.769
local terms energy: -87.393701
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. 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: -236.553108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.553108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.744610 (E_RNA)
where:
Base-Base interactions energy: -149.608
where: short stacking energy: -75.985
Base-Backbone interact. energy: -0.125
local terms energy: -87.011137
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -226.546476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.546476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.546476 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.204
local terms energy: -86.527325
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -328.413419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.413419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.460922 (E_RNA)
where:
Base-Base interactions energy: -226.081
where: short stacking energy: -106.767
Base-Backbone interact. energy: -0.010
local terms energy: -102.369210
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -31.435
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -304.619839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.619839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.619839 (E_RNA)
where:
Base-Base interactions energy: -198.550
where: short stacking energy: -96.274
Base-Backbone interact. energy: -1.083
local terms energy: -104.987003
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -25.389
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: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -308.598828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.598828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.645251 (E_RNA)
where:
Base-Base interactions energy: -201.581
where: short stacking energy: -99.004
Base-Backbone interact. energy: -0.566
local terms energy: -106.498207
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -32.259
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -315.329255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.329255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.491803 (E_RNA)
where:
Base-Base interactions energy: -207.127
where: short stacking energy: -81.092
Base-Backbone interact. energy: -0.237
local terms energy: -108.128051
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -278.093854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.093854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.183062 (E_RNA)
where:
Base-Base interactions energy: -186.964
where: short stacking energy: -88.245
Base-Backbone interact. energy: -0.128
local terms energy: -91.091192
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -24.004
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -254.443448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.443448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.644982 (E_RNA)
where:
Base-Base interactions energy: -176.586
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.413
local terms energy: -77.646024
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. 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: -252.481736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.481736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.666953 (E_RNA)
where:
Base-Base interactions energy: -168.328
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.343
local terms energy: -83.995717
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. 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: -241.459622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.459622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.568546 (E_RNA)
where:
Base-Base interactions energy: -151.579
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.260
local terms energy: -89.729902
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. 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: -243.087073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.087073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.124365 (E_RNA)
where:
Base-Base interactions energy: -159.074
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.330
local terms energy: -83.720894
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -225.160826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.160826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.253196 (E_RNA)
where:
Base-Base interactions energy: -140.204
where: short stacking energy: -61.877
Base-Backbone interact. energy: 0.005
local terms energy: -85.054751
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. 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: -336.268186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.268186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.327790 (E_RNA)
where:
Base-Base interactions energy: -227.523
where: short stacking energy: -101.228
Base-Backbone interact. energy: -0.021
local terms energy: -108.783452
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -27.986
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -326.548048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.548048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.561273 (E_RNA)
where:
Base-Base interactions energy: -210.984
where: short stacking energy: -97.262
Base-Backbone interact. energy: -0.380
local terms energy: -115.197546
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -305.151255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.151255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.172003 (E_RNA)
where:
Base-Base interactions energy: -198.746
where: short stacking energy: -94.090
Base-Backbone interact. energy: -0.043
local terms energy: -106.382853
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -306.237256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.237256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.364967 (E_RNA)
where:
Base-Base interactions energy: -208.483
where: short stacking energy: -85.734
Base-Backbone interact. energy: -0.350
local terms energy: -97.531407
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -270.907426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.907426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.997918 (E_RNA)
where:
Base-Base interactions energy: -171.550
where: short stacking energy: -82.958
Base-Backbone interact. energy: -0.149
local terms energy: -99.299170
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -27.515
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -250.021931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.021931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.342171 (E_RNA)
where:
Base-Base interactions energy: -168.540
where: short stacking energy: -66.490
Base-Backbone interact. energy: -0.700
local terms energy: -82.102474
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 1.320 (S_DIST_RNA)
chem. 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: -242.235439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.235439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.235439 (E_RNA)
where:
Base-Base interactions energy: -154.242
where: short stacking energy: -81.692
Base-Backbone interact. energy: 1.777
local terms energy: -89.771064
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -242.551541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.551541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.760366 (E_RNA)
where:
Base-Base interactions energy: -150.429
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.123
local terms energy: -92.208207
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -223.841990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841990 (E_RNA)
where:
Base-Base interactions energy: -140.755
where: short stacking energy: -64.936
Base-Backbone interact. energy: 0.374
local terms energy: -83.460457
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -202.205944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.205944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.537511 (E_RNA)
where:
Base-Base interactions energy: -135.560
where: short stacking energy: -66.338
Base-Backbone interact. energy: 0.210
local terms energy: -67.187282
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -333.076568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.204545 (E_RNA)
where:
Base-Base interactions energy: -215.196
where: short stacking energy: -108.271
Base-Backbone interact. energy: -0.101
local terms energy: -117.906885
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -30.485
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -329.125888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.125888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.537924 (E_RNA)
where:
Base-Base interactions energy: -209.859
where: short stacking energy: -103.112
Base-Backbone interact. energy: -0.206
local terms energy: -119.473157
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -30.348
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -330.967887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.967887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.974081 (E_RNA)
where:
Base-Base interactions energy: -216.098
where: short stacking energy: -104.936
Base-Backbone interact. energy: -0.067
local terms energy: -114.809238
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -295.201605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.201605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.275193 (E_RNA)
where:
Base-Base interactions energy: -199.840
where: short stacking energy: -96.662
Base-Backbone interact. energy: -0.087
local terms energy: -95.347461
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -266.177884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.177884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.257409 (E_RNA)
where:
Base-Base interactions energy: -171.361
where: short stacking energy: -78.886
Base-Backbone interact. energy: -0.251
local terms energy: -94.645306
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -247.560262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.560262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.724368 (E_RNA)
where:
Base-Base interactions energy: -161.811
where: short stacking energy: -76.410
Base-Backbone interact. energy: -0.735
local terms energy: -85.177841
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. 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: -266.686351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.686351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.686351 (E_RNA)
where:
Base-Base interactions energy: -174.620
where: short stacking energy: -78.722
Base-Backbone interact. energy: -0.004
local terms energy: -92.062096
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -19.377
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: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -250.013768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.013768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.604362 (E_RNA)
where:
Base-Base interactions energy: -162.417
where: short stacking energy: -76.235
Base-Backbone interact. energy: -0.052
local terms energy: -88.135185
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -226.717533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.717533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847041 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.288
local terms energy: -81.185570
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -199.140655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.140655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.904836 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -53.277
Base-Backbone interact. energy: -0.383
local terms energy: -66.818998
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -343.630636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.630636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.675378 (E_RNA)
where:
Base-Base interactions energy: -224.149
where: short stacking energy: -108.874
Base-Backbone interact. energy: -0.644
local terms energy: -118.882378
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -337.858419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.858419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.878834 (E_RNA)
where:
Base-Base interactions energy: -223.823
where: short stacking energy: -113.253
Base-Backbone interact. energy: -0.222
local terms energy: -113.833125
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -33.021
Dist. restrs. and SS energy: 0.020 (S_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: 355
Temperature: 1.000000
Total energy: -326.051184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.051184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.096139 (E_RNA)
where:
Base-Base interactions energy: -211.595
where: short stacking energy: -102.892
Base-Backbone interact. energy: -0.290
local terms energy: -114.211181
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -29.222
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -291.389784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.389784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.389784 (E_RNA)
where:
Base-Base interactions energy: -185.130
where: short stacking energy: -84.685
Base-Backbone interact. energy: -0.006
local terms energy: -106.254502
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -264.805337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.805337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.824240 (E_RNA)
where:
Base-Base interactions energy: -177.055
where: short stacking energy: -84.782
Base-Backbone interact. energy: -0.747
local terms energy: -87.022173
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -24.312
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -256.075123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.075123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.188560 (E_RNA)
where:
Base-Base interactions energy: -163.307
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.320
local terms energy: -92.561724
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. 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: -257.893198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.893198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.928433 (E_RNA)
where:
Base-Base interactions energy: -166.307
where: short stacking energy: -83.593
Base-Backbone interact. energy: -0.333
local terms energy: -91.288013
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. 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: -243.758416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.758416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.078500 (E_RNA)
where:
Base-Base interactions energy: -151.730
where: short stacking energy: -87.909
Base-Backbone interact. energy: -0.378
local terms energy: -91.970618
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. 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: -240.950116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.950116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.233571 (E_RNA)
where:
Base-Base interactions energy: -144.104
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.455
local terms energy: -96.675092
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -202.952152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.952152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131006 (E_RNA)
where:
Base-Base interactions energy: -124.028
where: short stacking energy: -57.651
Base-Backbone interact. energy: -0.308
local terms energy: -78.795593
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -338.149531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.149531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.299617 (E_RNA)
where:
Base-Base interactions energy: -226.731
where: short stacking energy: -111.218
Base-Backbone interact. energy: -0.033
local terms energy: -111.535337
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -31.095
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -328.115325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.115325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.122042 (E_RNA)
where:
Base-Base interactions energy: -218.806
where: short stacking energy: -108.337
Base-Backbone interact. energy: -0.500
local terms energy: -108.816282
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -27.721
Dist. restrs. and SS energy: 0.007 (S_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: 356
Temperature: 1.000000
Total energy: -320.618428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.618428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.806364 (E_RNA)
where:
Base-Base interactions energy: -211.613
where: short stacking energy: -99.999
Base-Backbone interact. energy: -0.083
local terms energy: -109.109604
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -288.525039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.525039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.595762 (E_RNA)
where:
Base-Base interactions energy: -188.209
where: short stacking energy: -92.329
Base-Backbone interact. energy: -1.065
local terms energy: -99.322237
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. 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: -282.256685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.256685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.143144 (E_RNA)
where:
Base-Base interactions energy: -186.244
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.092
local terms energy: -97.806368
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 1.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -251.658196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.658196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.773280 (E_RNA)
where:
Base-Base interactions energy: -157.376
where: short stacking energy: -77.332
Base-Backbone interact. energy: -0.173
local terms energy: -94.223717
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.115 (S_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: -253.060162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.060162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.343122 (E_RNA)
where:
Base-Base interactions energy: -156.293
where: short stacking energy: -81.614
Base-Backbone interact. energy: 0.167
local terms energy: -97.216699
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. 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: -233.959548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.959548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.090959 (E_RNA)
where:
Base-Base interactions energy: -158.291
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.436
local terms energy: -75.363882
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. 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: -229.443058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.443058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.497667 (E_RNA)
where:
Base-Base interactions energy: -136.957
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.564
local terms energy: -91.976836
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -221.629410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.629410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.675802 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -65.591
Base-Backbone interact. energy: -0.372
local terms energy: -93.624868
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -346.443153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.443153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.464910 (E_RNA)
where:
Base-Base interactions energy: -234.774
where: short stacking energy: -108.716
Base-Backbone interact. energy: -0.166
local terms energy: -111.524193
where:
bonds (distance) C4'-P energy: -24.232
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -29.290
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -333.803529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.803529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.803529 (E_RNA)
where:
Base-Base interactions energy: -229.623
where: short stacking energy: -110.828
Base-Backbone interact. energy: -0.337
local terms energy: -103.843282
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -25.965
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: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -326.200201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.200201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.265560 (E_RNA)
where:
Base-Base interactions energy: -219.490
where: short stacking energy: -99.073
Base-Backbone interact. energy: -0.040
local terms energy: -106.735827
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -25.978
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -303.115849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.115849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.163477 (E_RNA)
where:
Base-Base interactions energy: -200.954
where: short stacking energy: -81.984
Base-Backbone interact. energy: -0.150
local terms energy: -102.058567
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.048 (S_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: 357
Temperature: 1.100000
Total energy: -275.041997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.041997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.076828 (E_RNA)
where:
Base-Base interactions energy: -178.971
where: short stacking energy: -89.971
Base-Backbone interact. energy: 0.882
local terms energy: -96.987565
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -258.171284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.171284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.321436 (E_RNA)
where:
Base-Base interactions energy: -173.448
where: short stacking energy: -77.071
Base-Backbone interact. energy: 0.553
local terms energy: -85.426081
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.150 (S_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: 357
Temperature: 1.200000
Total energy: -232.319869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.319869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.330130 (E_RNA)
where:
Base-Base interactions energy: -138.684
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.158
local terms energy: -93.488475
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -238.336221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.336221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.469524 (E_RNA)
where:
Base-Base interactions energy: -155.221
where: short stacking energy: -77.554
Base-Backbone interact. energy: -0.319
local terms energy: -82.928695
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -216.536812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.536812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763165 (E_RNA)
where:
Base-Base interactions energy: -134.379
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.506
local terms energy: -81.878835
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -236.132522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.132522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.190715 (E_RNA)
where:
Base-Base interactions energy: -142.954
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.097
local terms energy: -93.139907
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -344.943924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.943924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.949085 (E_RNA)
where:
Base-Base interactions energy: -229.869
where: short stacking energy: -109.423
Base-Backbone interact. energy: -0.132
local terms energy: -114.948419
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -31.724
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -321.520186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.520186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.193440 (E_RNA)
where:
Base-Base interactions energy: -226.595
where: short stacking energy: -98.322
Base-Backbone interact. energy: -0.277
local terms energy: -95.321412
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. 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: -335.510281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.510281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.510281 (E_RNA)
where:
Base-Base interactions energy: -220.278
where: short stacking energy: -105.351
Base-Backbone interact. energy: -0.137
local terms energy: -115.095976
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -30.972
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: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -310.629444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.629444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.669019 (E_RNA)
where:
Base-Base interactions energy: -210.169
where: short stacking energy: -96.718
Base-Backbone interact. energy: -0.059
local terms energy: -100.441201
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -28.617
Dist. restrs. and SS energy: 0.040 (S_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: 358
Temperature: 1.100000
Total energy: -277.022986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.022986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.022986 (E_RNA)
where:
Base-Base interactions energy: -176.910
where: short stacking energy: -85.866
Base-Backbone interact. energy: -0.084
local terms energy: -100.028299
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -252.318228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.318228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.527681 (E_RNA)
where:
Base-Base interactions energy: -153.126
where: short stacking energy: -75.706
Base-Backbone interact. energy: -1.073
local terms energy: -98.328423
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -238.154417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.154417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.222751 (E_RNA)
where:
Base-Base interactions energy: -156.551
where: short stacking energy: -86.161
Base-Backbone interact. energy: -0.004
local terms energy: -81.666754
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -245.847322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.847322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.847322 (E_RNA)
where:
Base-Base interactions energy: -147.261
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.035
local terms energy: -98.550503
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -24.872
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -253.063964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.063964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.343349 (E_RNA)
where:
Base-Base interactions energy: -178.149
where: short stacking energy: -83.059
Base-Backbone interact. energy: -0.038
local terms energy: -75.156503
where:
bonds (distance) C4'-P energy: -3.484
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.279 (S_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: 358
Temperature: 1.350000
Total energy: -219.321569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.349790 (E_RNA)
where:
Base-Base interactions energy: -139.570
where: short stacking energy: -74.008
Base-Backbone interact. energy: -0.229
local terms energy: -79.550984
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -340.411484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.411484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.654613 (E_RNA)
where:
Base-Base interactions energy: -225.670
where: short stacking energy: -113.454
Base-Backbone interact. energy: -0.295
local terms energy: -114.689601
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -35.999
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -334.699576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.699576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.747173 (E_RNA)
where:
Base-Base interactions energy: -221.228
where: short stacking energy: -108.116
Base-Backbone interact. energy: 0.440
local terms energy: -113.959098
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -31.151
Dist. restrs. and SS energy: 0.048 (S_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: 359
Temperature: 1.000000
Total energy: -310.517977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.517977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.651400 (E_RNA)
where:
Base-Base interactions energy: -206.601
where: short stacking energy: -92.578
Base-Backbone interact. energy: -0.123
local terms energy: -103.927259
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -311.984335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.984335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.105045 (E_RNA)
where:
Base-Base interactions energy: -209.982
where: short stacking energy: -103.418
Base-Backbone interact. energy: 0.679
local terms energy: -102.802231
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -283.795370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.795370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.818385 (E_RNA)
where:
Base-Base interactions energy: -192.151
where: short stacking energy: -89.121
Base-Backbone interact. energy: -0.083
local terms energy: -91.584770
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -24.133
Dist. restrs. and SS energy: 0.023 (S_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: 359
Temperature: 1.150000
Total energy: -254.437187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.437187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.487702 (E_RNA)
where:
Base-Base interactions energy: -159.166
where: short stacking energy: -75.414
Base-Backbone interact. energy: 1.262
local terms energy: -96.583895
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -256.072654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.072654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.164947 (E_RNA)
where:
Base-Base interactions energy: -162.611
where: short stacking energy: -83.558
Base-Backbone interact. energy: -0.062
local terms energy: -93.491983
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -232.796988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.796988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.820068 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -71.925
Base-Backbone interact. energy: 1.014
local terms energy: -85.734378
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -245.458311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.458311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.458311 (E_RNA)
where:
Base-Base interactions energy: -158.627
where: short stacking energy: -71.708
Base-Backbone interact. energy: -0.436
local terms energy: -86.395630
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -16.138
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -218.424578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.424578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.428921 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.200
local terms energy: -78.838297
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -349.428950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.428950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.730171 (E_RNA)
where:
Base-Base interactions energy: -239.657
where: short stacking energy: -110.148
Base-Backbone interact. energy: -0.374
local terms energy: -109.699587
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -29.931
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -343.473195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.473195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.473195 (E_RNA)
where:
Base-Base interactions energy: -228.511
where: short stacking energy: -110.472
Base-Backbone interact. energy: -0.100
local terms energy: -114.862659
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -31.892
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: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -328.735918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.735918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.949949 (E_RNA)
where:
Base-Base interactions energy: -211.148
where: short stacking energy: -107.204
Base-Backbone interact. energy: -0.011
local terms energy: -117.790694
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -32.733
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -320.186676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.186676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.408379 (E_RNA)
where:
Base-Base interactions energy: -214.701
where: short stacking energy: -93.470
Base-Backbone interact. energy: -0.234
local terms energy: -105.473778
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -271.784194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.784194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.055387 (E_RNA)
where:
Base-Base interactions energy: -176.077
where: short stacking energy: -77.943
Base-Backbone interact. energy: -0.308
local terms energy: -95.671020
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -22.951
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -258.549124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.549124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.754629 (E_RNA)
where:
Base-Base interactions energy: -162.963
where: short stacking energy: -81.700
Base-Backbone interact. energy: -0.035
local terms energy: -95.757134
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -257.822455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.822455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.856201 (E_RNA)
where:
Base-Base interactions energy: -165.377
where: short stacking energy: -83.401
Base-Backbone interact. energy: -0.120
local terms energy: -92.358713
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -248.007825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.007825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.012994 (E_RNA)
where:
Base-Base interactions energy: -159.832
where: short stacking energy: -69.762
Base-Backbone interact. energy: -0.459
local terms energy: -87.721647
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -246.274964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.274964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.497993 (E_RNA)
where:
Base-Base interactions energy: -156.182
where: short stacking energy: -82.510
Base-Backbone interact. energy: 0.277
local terms energy: -90.593018
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.223 (S_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: 360
Temperature: 1.350000
Total energy: -204.189504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.189504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.337111 (E_RNA)
where:
Base-Base interactions energy: -132.272
where: short stacking energy: -49.976
Base-Backbone interact. energy: -0.341
local terms energy: -71.724497
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -349.096407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.096407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.168898 (E_RNA)
where:
Base-Base interactions energy: -236.980
where: short stacking energy: -106.718
Base-Backbone interact. energy: -0.092
local terms energy: -112.097241
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. 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: -312.142997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.142997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.151423 (E_RNA)
where:
Base-Base interactions energy: -212.203
where: short stacking energy: -101.649
Base-Backbone interact. energy: -0.377
local terms energy: -100.570981
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -28.949
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -331.917436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.917436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.936727 (E_RNA)
where:
Base-Base interactions energy: -221.592
where: short stacking energy: -105.977
Base-Backbone interact. energy: -0.051
local terms energy: -110.294340
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -307.439094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.439094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.527115 (E_RNA)
where:
Base-Base interactions energy: -206.043
where: short stacking energy: -96.156
Base-Backbone interact. energy: -0.618
local terms energy: -100.865666
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -282.665574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.665574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.665574 (E_RNA)
where:
Base-Base interactions energy: -181.392
where: short stacking energy: -87.776
Base-Backbone interact. energy: 0.144
local terms energy: -101.417205
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -23.677
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: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -248.512130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.512130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.990659 (E_RNA)
where:
Base-Base interactions energy: -160.475
where: short stacking energy: -88.401
Base-Backbone interact. energy: -0.083
local terms energy: -88.432025
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -264.502763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.502763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.502763 (E_RNA)
where:
Base-Base interactions energy: -175.719
where: short stacking energy: -79.631
Base-Backbone interact. energy: -0.083
local terms energy: -88.700138
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -22.003
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: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -249.722269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.722269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.739567 (E_RNA)
where:
Base-Base interactions energy: -168.377
where: short stacking energy: -74.061
Base-Backbone interact. energy: -0.248
local terms energy: -81.113974
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -219.214773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.214773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.328497 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.090
local terms energy: -79.090130
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.114 (S_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: 361
Temperature: 1.350000
Total energy: -232.823158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.823158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.942671 (E_RNA)
where:
Base-Base interactions energy: -145.631
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.181
local terms energy: -87.130663
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -336.881649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.881649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.952381 (E_RNA)
where:
Base-Base interactions energy: -218.922
where: short stacking energy: -95.845
Base-Backbone interact. energy: -0.397
local terms energy: -117.633252
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -29.134
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -327.306817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.306817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.262487 (E_RNA)
where:
Base-Base interactions energy: -220.358
where: short stacking energy: -111.763
Base-Backbone interact. energy: -0.165
local terms energy: -108.740191
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -337.058562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.058562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.066289 (E_RNA)
where:
Base-Base interactions energy: -224.168
where: short stacking energy: -101.409
Base-Backbone interact. energy: -0.003
local terms energy: -112.895772
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -31.481
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -298.461359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.461359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.004306 (E_RNA)
where:
Base-Base interactions energy: -197.769
where: short stacking energy: -93.329
Base-Backbone interact. energy: -0.154
local terms energy: -103.081862
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 2.543 (S_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: 362
Temperature: 1.100000
Total energy: -255.172071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.172071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.203978 (E_RNA)
where:
Base-Base interactions energy: -164.667
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.052
local terms energy: -90.485215
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.032 (S_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: 362
Temperature: 1.150000
Total energy: -263.258451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.258451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.384241 (E_RNA)
where:
Base-Base interactions energy: -181.181
where: short stacking energy: -96.864
Base-Backbone interact. energy: -0.751
local terms energy: -81.451724
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -24.476
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.126 (S_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: 362
Temperature: 1.200000
Total energy: -250.980506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.980506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.173105 (E_RNA)
where:
Base-Base interactions energy: -154.924
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.022
local terms energy: -96.226756
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -252.924956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.924956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.270742 (E_RNA)
where:
Base-Base interactions energy: -155.711
where: short stacking energy: -75.411
Base-Backbone interact. energy: -0.041
local terms energy: -97.518412
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -24.237
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -237.055796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.055796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.131508 (E_RNA)
where:
Base-Base interactions energy: -156.685
where: short stacking energy: -73.471
Base-Backbone interact. energy: -0.045
local terms energy: -80.400909
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -216.249232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.249232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.437889 (E_RNA)
where:
Base-Base interactions energy: -144.941
where: short stacking energy: -77.200
Base-Backbone interact. energy: -0.239
local terms energy: -71.258791
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -342.988381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.988381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.988381 (E_RNA)
where:
Base-Base interactions energy: -230.961
where: short stacking energy: -106.977
Base-Backbone interact. energy: -0.104
local terms energy: -111.923877
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -30.675
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: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -327.139873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.139873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.256449 (E_RNA)
where:
Base-Base interactions energy: -216.940
where: short stacking energy: -96.435
Base-Backbone interact. energy: -0.023
local terms energy: -112.292865
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -30.845
Dist. restrs. and SS energy: 2.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -323.223956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.223956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.223956 (E_RNA)
where:
Base-Base interactions energy: -207.533
where: short stacking energy: -96.960
Base-Backbone interact. energy: -0.097
local terms energy: -115.593325
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -30.145
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -327.405032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.405032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.496299 (E_RNA)
where:
Base-Base interactions energy: -218.549
where: short stacking energy: -107.915
Base-Backbone interact. energy: -0.080
local terms energy: -108.866593
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -28.750
Dist. restrs. and SS energy: 0.091 (S_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: 363
Temperature: 1.100000
Total energy: -257.034862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.034862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.400809 (E_RNA)
where:
Base-Base interactions energy: -163.039
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.053
local terms energy: -94.308526
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.366 (S_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: 363
Temperature: 1.150000
Total energy: -268.891135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.891135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.153610 (E_RNA)
where:
Base-Base interactions energy: -163.505
where: short stacking energy: -81.640
Base-Backbone interact. energy: -0.102
local terms energy: -105.546402
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -26.832
Dist. restrs. and SS energy: 0.262 (S_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: 363
Temperature: 1.200000
Total energy: -251.594645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.594645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.811253 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.515
local terms energy: -97.316013
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -249.445960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.445960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.445960 (E_RNA)
where:
Base-Base interactions energy: -155.845
where: short stacking energy: -79.670
Base-Backbone interact. energy: -0.971
local terms energy: -92.630708
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -21.968
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: 363
Temperature: 1.300000
Total energy: -242.589012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.589012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.706422 (E_RNA)
where:
Base-Base interactions energy: -153.847
where: short stacking energy: -75.022
Base-Backbone interact. energy: -0.052
local terms energy: -88.806719
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -230.391058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.391058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.558111 (E_RNA)
where:
Base-Base interactions energy: -148.868
where: short stacking energy: -72.100
Base-Backbone interact. energy: -1.248
local terms energy: -80.441889
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. 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: -338.755702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.755702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.340107 (E_RNA)
where:
Base-Base interactions energy: -217.868
where: short stacking energy: -111.616
Base-Backbone interact. energy: -0.002
local terms energy: -123.470016
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -34.147
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -336.682396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.682396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.696739 (E_RNA)
where:
Base-Base interactions energy: -226.917
where: short stacking energy: -103.068
Base-Backbone interact. energy: -0.235
local terms energy: -109.544186
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -319.161013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.161013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.179081 (E_RNA)
where:
Base-Base interactions energy: -216.841
where: short stacking energy: -92.844
Base-Backbone interact. energy: -0.255
local terms energy: -102.083796
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -24.279
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -312.459096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.459096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.502695 (E_RNA)
where:
Base-Base interactions energy: -204.332
where: short stacking energy: -101.937
Base-Backbone interact. energy: 0.706
local terms energy: -108.877034
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.044 (S_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: 364
Temperature: 1.100000
Total energy: -268.005872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.005872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.065397 (E_RNA)
where:
Base-Base interactions energy: -165.310
where: short stacking energy: -90.597
Base-Backbone interact. energy: -0.002
local terms energy: -102.753114
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.060 (S_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: 364
Temperature: 1.150000
Total energy: -260.866948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.866948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.971606 (E_RNA)
where:
Base-Base interactions energy: -169.330
where: short stacking energy: -98.853
Base-Backbone interact. energy: -0.189
local terms energy: -91.453344
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -32.107
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -264.808484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.808484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.129219 (E_RNA)
where:
Base-Base interactions energy: -175.924
where: short stacking energy: -82.179
Base-Backbone interact. energy: 0.907
local terms energy: -90.112398
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.321 (S_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: 364
Temperature: 1.250000
Total energy: -242.925337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.925337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.414864 (E_RNA)
where:
Base-Base interactions energy: -155.294
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.256
local terms energy: -87.865110
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -228.630968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.630968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.638467 (E_RNA)
where:
Base-Base interactions energy: -139.537
where: short stacking energy: -70.964
Base-Backbone interact. energy: 1.394
local terms energy: -90.495761
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -224.509419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.509419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.071703 (E_RNA)
where:
Base-Base interactions energy: -147.337
where: short stacking energy: -68.867
Base-Backbone interact. energy: -0.327
local terms energy: -79.407865
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 2.562 (S_DIST_RNA)
chem. 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: -333.218855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.218855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.237365 (E_RNA)
where:
Base-Base interactions energy: -215.971
where: short stacking energy: -105.577
Base-Backbone interact. energy: -0.634
local terms energy: -116.631938
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -30.977
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -346.099258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.099258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.163864 (E_RNA)
where:
Base-Base interactions energy: -228.104
where: short stacking energy: -116.905
Base-Backbone interact. energy: -0.008
local terms energy: -118.051289
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -324.216414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.216414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.274063 (E_RNA)
where:
Base-Base interactions energy: -214.161
where: short stacking energy: -104.858
Base-Backbone interact. energy: -0.077
local terms energy: -110.035140
where:
bonds (distance) C4'-P energy: -23.844
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -321.235460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.235460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.241270 (E_RNA)
where:
Base-Base interactions energy: -219.823
where: short stacking energy: -90.715
Base-Backbone interact. energy: -0.144
local terms energy: -101.273458
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.006 (S_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: 365
Temperature: 1.100000
Total energy: -253.825649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.825649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.104139 (E_RNA)
where:
Base-Base interactions energy: -159.539
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.869
local terms energy: -93.695920
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -21.072
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -250.859437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.859437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.892412 (E_RNA)
where:
Base-Base interactions energy: -155.868
where: short stacking energy: -79.460
Base-Backbone interact. energy: -0.359
local terms energy: -94.665959
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.033 (S_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: -244.131923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.131923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.152596 (E_RNA)
where:
Base-Base interactions energy: -156.522
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.050
local terms energy: -87.580435
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.021 (S_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: 365
Temperature: 1.250000
Total energy: -231.073639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.073639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.194052 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -73.292
Base-Backbone interact. energy: -0.142
local terms energy: -87.238497
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -209.697394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.697394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735946 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -61.409
Base-Backbone interact. energy: 0.006
local terms energy: -64.494675
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -9.318
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -222.182233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.182233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210498 (E_RNA)
where:
Base-Base interactions energy: -140.586
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.282
local terms energy: -81.342068
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -345.213115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.213115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.274442 (E_RNA)
where:
Base-Base interactions energy: -226.308
where: short stacking energy: -105.080
Base-Backbone interact. energy: -0.053
local terms energy: -118.913234
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. 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: -330.347669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.347669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.412109 (E_RNA)
where:
Base-Base interactions energy: -231.724
where: short stacking energy: -96.392
Base-Backbone interact. energy: -0.154
local terms energy: -98.534722
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -24.714
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -329.088730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.088730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.211293 (E_RNA)
where:
Base-Base interactions energy: -223.116
where: short stacking energy: -98.726
Base-Backbone interact. energy: -0.186
local terms energy: -105.909319
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -307.398387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.398387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.556533 (E_RNA)
where:
Base-Base interactions energy: -206.533
where: short stacking energy: -86.834
Base-Backbone interact. energy: 0.834
local terms energy: -101.857108
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.158 (S_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: 366
Temperature: 1.100000
Total energy: -252.145431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.145431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.171135 (E_RNA)
where:
Base-Base interactions energy: -161.910
where: short stacking energy: -80.559
Base-Backbone interact. energy: 0.352
local terms energy: -90.613548
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -243.703553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.703553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.703553 (E_RNA)
where:
Base-Base interactions energy: -158.120
where: short stacking energy: -72.625
Base-Backbone interact. energy: -0.417
local terms energy: -85.166592
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -259.711479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.711479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.747134 (E_RNA)
where:
Base-Base interactions energy: -173.378
where: short stacking energy: -77.110
Base-Backbone interact. energy: -0.275
local terms energy: -86.094433
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -262.844780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.844780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.179696 (E_RNA)
where:
Base-Base interactions energy: -166.221
where: short stacking energy: -77.915
Base-Backbone interact. energy: -0.007
local terms energy: -96.952087
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. 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: -219.153298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.153298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.168442 (E_RNA)
where:
Base-Base interactions energy: -151.760
where: short stacking energy: -77.210
Base-Backbone interact. energy: 0.848
local terms energy: -68.255783
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -205.593444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.593444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.733041 (E_RNA)
where:
Base-Base interactions energy: -135.217
where: short stacking energy: -63.700
Base-Backbone interact. energy: 1.042
local terms energy: -71.557860
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -346.278363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.278363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.329232 (E_RNA)
where:
Base-Base interactions energy: -237.827
where: short stacking energy: -110.899
Base-Backbone interact. energy: 0.630
local terms energy: -109.132364
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -32.208
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -333.258849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.258849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.269133 (E_RNA)
where:
Base-Base interactions energy: -225.187
where: short stacking energy: -104.014
Base-Backbone interact. energy: -0.598
local terms energy: -107.483696
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -28.855
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -317.952911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.952911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.662787 (E_RNA)
where:
Base-Base interactions energy: -212.242
where: short stacking energy: -104.008
Base-Backbone interact. energy: -0.384
local terms energy: -106.036651
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.710 (S_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: 367
Temperature: 1.050000
Total energy: -272.089447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.089447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.496947 (E_RNA)
where:
Base-Base interactions energy: -167.356
where: short stacking energy: -84.393
Base-Backbone interact. energy: -0.379
local terms energy: -104.761399
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -298.545552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.545552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.937828 (E_RNA)
where:
Base-Base interactions energy: -196.378
where: short stacking energy: -90.712
Base-Backbone interact. energy: -0.094
local terms energy: -102.466173
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.392 (S_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: 367
Temperature: 1.150000
Total energy: -263.792957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.792957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.812019 (E_RNA)
where:
Base-Base interactions energy: -166.873
where: short stacking energy: -88.867
Base-Backbone interact. energy: -0.208
local terms energy: -96.730995
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -250.594896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.594896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.916874 (E_RNA)
where:
Base-Base interactions energy: -156.474
where: short stacking energy: -86.707
Base-Backbone interact. energy: -0.004
local terms energy: -94.438842
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -252.004048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.004048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.041350 (E_RNA)
where:
Base-Base interactions energy: -159.554
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.250
local terms energy: -92.237857
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. 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: -239.503093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.503093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.503093 (E_RNA)
where:
Base-Base interactions energy: -151.490
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.119
local terms energy: -87.894092
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -218.228967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.228967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.368013 (E_RNA)
where:
Base-Base interactions energy: -132.973
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.128
local terms energy: -85.267371
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -331.391550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.391550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.495456 (E_RNA)
where:
Base-Base interactions energy: -224.904
where: short stacking energy: -109.517
Base-Backbone interact. energy: -0.097
local terms energy: -106.494020
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -30.477
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -337.619836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.619836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.619836 (E_RNA)
where:
Base-Base interactions energy: -223.484
where: short stacking energy: -110.884
Base-Backbone interact. energy: 0.216
local terms energy: -114.351172
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -31.634
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: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -326.015042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.015042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.223998 (E_RNA)
where:
Base-Base interactions energy: -219.799
where: short stacking energy: -110.242
Base-Backbone interact. energy: -0.062
local terms energy: -106.363421
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -29.797
Dist. restrs. and SS energy: 0.209 (S_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: 368
Temperature: 1.050000
Total energy: -279.479053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.479053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.670071 (E_RNA)
where:
Base-Base interactions energy: -179.577
where: short stacking energy: -82.049
Base-Backbone interact. energy: -0.077
local terms energy: -100.015617
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -309.392775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.392775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.467980 (E_RNA)
where:
Base-Base interactions energy: -214.075
where: short stacking energy: -95.296
Base-Backbone interact. energy: -0.363
local terms energy: -95.030048
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.075 (S_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: 368
Temperature: 1.150000
Total energy: -255.497152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.497152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.512531 (E_RNA)
where:
Base-Base interactions energy: -171.478
where: short stacking energy: -85.006
Base-Backbone interact. energy: 0.213
local terms energy: -84.247997
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -255.342138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.342138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.550787 (E_RNA)
where:
Base-Base interactions energy: -165.303
where: short stacking energy: -82.472
Base-Backbone interact. energy: -0.172
local terms energy: -90.076187
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -240.362336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.362336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.475402 (E_RNA)
where:
Base-Base interactions energy: -155.033
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.221
local terms energy: -85.221180
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -220.830293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.830293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908058 (E_RNA)
where:
Base-Base interactions energy: -143.994
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.390
local terms energy: -76.524040
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -221.290493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.290493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331362 (E_RNA)
where:
Base-Base interactions energy: -139.960
where: short stacking energy: -69.218
Base-Backbone interact. energy: -0.236
local terms energy: -81.135787
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -327.410599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.410599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.556224 (E_RNA)
where:
Base-Base interactions energy: -219.168
where: short stacking energy: -95.093
Base-Backbone interact. energy: -0.392
local terms energy: -107.996050
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -336.351441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.351441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.370074 (E_RNA)
where:
Base-Base interactions energy: -224.050
where: short stacking energy: -109.780
Base-Backbone interact. energy: -0.091
local terms energy: -112.229334
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -32.140
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -315.352493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.352493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.528632 (E_RNA)
where:
Base-Base interactions energy: -209.081
where: short stacking energy: -95.405
Base-Backbone interact. energy: -0.174
local terms energy: -106.273727
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -295.543845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.543845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.867381 (E_RNA)
where:
Base-Base interactions energy: -198.562
where: short stacking energy: -84.305
Base-Backbone interact. energy: -0.209
local terms energy: -97.096575
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.324 (S_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: 369
Temperature: 1.100000
Total energy: -262.801449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.801449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.919005 (E_RNA)
where:
Base-Base interactions energy: -168.532
where: short stacking energy: -87.597
Base-Backbone interact. energy: -0.355
local terms energy: -94.032100
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -263.872886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.872886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.943320 (E_RNA)
where:
Base-Base interactions energy: -173.363
where: short stacking energy: -79.991
Base-Backbone interact. energy: 0.252
local terms energy: -90.832708
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.070 (S_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: 369
Temperature: 1.200000
Total energy: -243.512847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.512847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.052418 (E_RNA)
where:
Base-Base interactions energy: -156.754
where: short stacking energy: -91.184
Base-Backbone interact. energy: 1.484
local terms energy: -88.782768
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -262.035735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.035735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.122986 (E_RNA)
where:
Base-Base interactions energy: -159.724
where: short stacking energy: -75.152
Base-Backbone interact. energy: -0.233
local terms energy: -102.165831
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -226.824021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.824021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.915299 (E_RNA)
where:
Base-Base interactions energy: -143.480
where: short stacking energy: -68.449
Base-Backbone interact. energy: -0.356
local terms energy: -83.079036
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -251.701100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.701100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.867900 (E_RNA)
where:
Base-Base interactions energy: -167.796
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.198
local terms energy: -83.874551
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. 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: -342.970134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.970134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.999598 (E_RNA)
where:
Base-Base interactions energy: -223.304
where: short stacking energy: -112.781
Base-Backbone interact. energy: -0.092
local terms energy: -119.603785
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -35.093
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -334.689583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.689583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.704008 (E_RNA)
where:
Base-Base interactions energy: -230.580
where: short stacking energy: -107.844
Base-Backbone interact. energy: -0.227
local terms energy: -103.897519
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -313.527737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.527737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.532767 (E_RNA)
where:
Base-Base interactions energy: -211.957
where: short stacking energy: -100.840
Base-Backbone interact. energy: -0.266
local terms energy: -101.310114
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -26.695
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -290.534085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.534085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.534085 (E_RNA)
where:
Base-Base interactions energy: -189.844
where: short stacking energy: -80.870
Base-Backbone interact. energy: -0.972
local terms energy: -99.718145
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -270.411745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.411745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.493600 (E_RNA)
where:
Base-Base interactions energy: -178.648
where: short stacking energy: -89.055
Base-Backbone interact. energy: 0.434
local terms energy: -92.279860
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -250.417473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.417473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.593956 (E_RNA)
where:
Base-Base interactions energy: -155.627
where: short stacking energy: -79.729
Base-Backbone interact. energy: -0.093
local terms energy: -94.873004
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.176 (S_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: 370
Temperature: 1.200000
Total energy: -247.358470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.358470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.472406 (E_RNA)
where:
Base-Base interactions energy: -167.189
where: short stacking energy: -83.036
Base-Backbone interact. energy: -0.125
local terms energy: -80.157854
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -234.602673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.602673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.602673 (E_RNA)
where:
Base-Base interactions energy: -156.260
where: short stacking energy: -76.678
Base-Backbone interact. energy: -1.000
local terms energy: -77.341725
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -244.006953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.006953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.094110 (E_RNA)
where:
Base-Base interactions energy: -170.632
where: short stacking energy: -85.552
Base-Backbone interact. energy: -1.062
local terms energy: -72.400676
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -24.798
Dist. restrs. and SS energy: 0.087 (S_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: 370
Temperature: 1.350000
Total energy: -207.039316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.039316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.112701 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.112
local terms energy: -76.700529
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. 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: -353.184226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.184226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.389774 (E_RNA)
where:
Base-Base interactions energy: -233.046
where: short stacking energy: -119.935
Base-Backbone interact. energy: -0.035
local terms energy: -120.309236
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -34.398
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. 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: -326.967907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.967907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.979836 (E_RNA)
where:
Base-Base interactions energy: -222.934
where: short stacking energy: -102.389
Base-Backbone interact. energy: -0.113
local terms energy: -103.932470
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -314.178881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.178881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.395394 (E_RNA)
where:
Base-Base interactions energy: -211.086
where: short stacking energy: -98.063
Base-Backbone interact. energy: -0.579
local terms energy: -102.730069
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -301.808514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.808514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.888428 (E_RNA)
where:
Base-Base interactions energy: -196.556
where: short stacking energy: -82.639
Base-Backbone interact. energy: -0.444
local terms energy: -104.888687
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -278.971523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.971523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.134041 (E_RNA)
where:
Base-Base interactions energy: -179.682
where: short stacking energy: -87.368
Base-Backbone interact. energy: -0.079
local terms energy: -99.372751
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.163 (S_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: 371
Temperature: 1.150000
Total energy: -291.281454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.281454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.345774 (E_RNA)
where:
Base-Base interactions energy: -187.439
where: short stacking energy: -84.167
Base-Backbone interact. energy: -0.233
local terms energy: -103.673838
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -254.128642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.128642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.361406 (E_RNA)
where:
Base-Base interactions energy: -161.620
where: short stacking energy: -85.851
Base-Backbone interact. energy: 0.106
local terms energy: -92.847212
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -247.007861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.007861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.189266 (E_RNA)
where:
Base-Base interactions energy: -156.684
where: short stacking energy: -82.790
Base-Backbone interact. energy: -0.138
local terms energy: -90.367116
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -242.477209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.477209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.486687 (E_RNA)
where:
Base-Base interactions energy: -154.871
where: short stacking energy: -80.391
Base-Backbone interact. energy: -1.040
local terms energy: -86.576355
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -24.358
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.009 (S_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: 371
Temperature: 1.350000
Total energy: -223.289729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.289729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375384 (E_RNA)
where:
Base-Base interactions energy: -128.123
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.267
local terms energy: -94.985089
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. 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: -346.781244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.781244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.781244 (E_RNA)
where:
Base-Base interactions energy: -233.468
where: short stacking energy: -109.891
Base-Backbone interact. energy: -0.005
local terms energy: -113.309112
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -32.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -322.784806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.784806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.842468 (E_RNA)
where:
Base-Base interactions energy: -206.984
where: short stacking energy: -97.430
Base-Backbone interact. energy: 0.122
local terms energy: -115.980574
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -315.771387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.771387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.903753 (E_RNA)
where:
Base-Base interactions energy: -211.524
where: short stacking energy: -106.809
Base-Backbone interact. energy: -0.005
local terms energy: -104.374770
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -31.118
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -319.438601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.438601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.439643 (E_RNA)
where:
Base-Base interactions energy: -216.717
where: short stacking energy: -94.125
Base-Backbone interact. energy: -0.481
local terms energy: -102.242286
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -24.082
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -259.795528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.795528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.862734 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -82.951
Base-Backbone interact. energy: -0.093
local terms energy: -93.575699
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -260.669508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.669508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.690413 (E_RNA)
where:
Base-Base interactions energy: -157.672
where: short stacking energy: -80.237
Base-Backbone interact. energy: 0.962
local terms energy: -103.980300
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -250.746359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.746359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.834527 (E_RNA)
where:
Base-Base interactions energy: -166.655
where: short stacking energy: -70.970
Base-Backbone interact. energy: -0.229
local terms energy: -83.950219
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -219.988881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.988881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.988881 (E_RNA)
where:
Base-Base interactions energy: -125.992
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.521
local terms energy: -93.476408
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -13.480
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: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -238.387461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.387461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.390796 (E_RNA)
where:
Base-Base interactions energy: -153.385
where: short stacking energy: -78.798
Base-Backbone interact. energy: -0.014
local terms energy: -84.992584
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -227.687929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.687929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.728310 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -74.937
Base-Backbone interact. energy: -0.293
local terms energy: -77.191144
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -345.177559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.177559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.268017 (E_RNA)
where:
Base-Base interactions energy: -234.304
where: short stacking energy: -111.975
Base-Backbone interact. energy: -0.165
local terms energy: -110.799270
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. 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: -331.150459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.150459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.156598 (E_RNA)
where:
Base-Base interactions energy: -217.808
where: short stacking energy: -109.089
Base-Backbone interact. energy: -0.003
local terms energy: -113.345647
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -32.557
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -320.812001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.812001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.844464 (E_RNA)
where:
Base-Base interactions energy: -202.296
where: short stacking energy: -99.164
Base-Backbone interact. energy: 0.461
local terms energy: -120.009823
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -30.128
Dist. restrs. and SS energy: 1.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -295.511700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.511700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.532873 (E_RNA)
where:
Base-Base interactions energy: -197.424
where: short stacking energy: -89.780
Base-Backbone interact. energy: -0.640
local terms energy: -97.468912
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -247.143792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.143792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.369304 (E_RNA)
where:
Base-Base interactions energy: -152.279
where: short stacking energy: -73.683
Base-Backbone interact. energy: -0.015
local terms energy: -95.075052
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.226 (S_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: 373
Temperature: 1.150000
Total energy: -257.108275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.108275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.198548 (E_RNA)
where:
Base-Base interactions energy: -165.106
where: short stacking energy: -84.600
Base-Backbone interact. energy: -0.181
local terms energy: -91.911511
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -250.558376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.558376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.732917 (E_RNA)
where:
Base-Base interactions energy: -169.966
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.521
local terms energy: -80.246476
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -237.926798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.926798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.933826 (E_RNA)
where:
Base-Base interactions energy: -155.998
where: short stacking energy: -76.494
Base-Backbone interact. energy: 0.843
local terms energy: -82.778954
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -232.073511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.073511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.077767 (E_RNA)
where:
Base-Base interactions energy: -154.960
where: short stacking energy: -80.628
Base-Backbone interact. energy: -0.191
local terms energy: -76.926623
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -219.072976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.072976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167821 (E_RNA)
where:
Base-Base interactions energy: -149.310
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.350
local terms energy: -69.507707
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -333.054415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.054415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.085651 (E_RNA)
where:
Base-Base interactions energy: -222.019
where: short stacking energy: -107.497
Base-Backbone interact. energy: -0.034
local terms energy: -111.032764
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -339.762146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.762146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.839917 (E_RNA)
where:
Base-Base interactions energy: -225.490
where: short stacking energy: -103.403
Base-Backbone interact. energy: -0.087
local terms energy: -114.262912
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -24.093
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -30.045
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -331.904749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.904749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.934092 (E_RNA)
where:
Base-Base interactions energy: -224.017
where: short stacking energy: -111.960
Base-Backbone interact. energy: 0.904
local terms energy: -108.821177
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -32.306
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -317.846849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.846849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.038732 (E_RNA)
where:
Base-Base interactions energy: -206.561
where: short stacking energy: -101.918
Base-Backbone interact. energy: -0.010
local terms energy: -111.467936
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.192 (S_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: 374
Temperature: 1.100000
Total energy: -266.684389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.684389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.748252 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.347
local terms energy: -101.700630
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.064 (S_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: 374
Temperature: 1.150000
Total energy: -257.171088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.171088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.233062 (E_RNA)
where:
Base-Base interactions energy: -161.683
where: short stacking energy: -82.614
Base-Backbone interact. energy: -0.078
local terms energy: -95.472232
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -255.289001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.289001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.299214 (E_RNA)
where:
Base-Base interactions energy: -176.594
where: short stacking energy: -70.356
Base-Backbone interact. energy: -0.378
local terms energy: -78.327927
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -239.729111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.729111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.859861 (E_RNA)
where:
Base-Base interactions energy: -155.053
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.717
local terms energy: -84.090231
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -225.963792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.963792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.151364 (E_RNA)
where:
Base-Base interactions energy: -149.985
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.118
local terms energy: -76.048350
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -225.335210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.387831 (E_RNA)
where:
Base-Base interactions energy: -141.245
where: short stacking energy: -70.278
Base-Backbone interact. energy: -0.122
local terms energy: -84.021488
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -332.795823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.795823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.795823 (E_RNA)
where:
Base-Base interactions energy: -217.230
where: short stacking energy: -100.670
Base-Backbone interact. energy: -0.205
local terms energy: -115.359928
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -332.494322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.494322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.629876 (E_RNA)
where:
Base-Base interactions energy: -220.679
where: short stacking energy: -105.667
Base-Backbone interact. energy: -0.046
local terms energy: -111.905131
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -338.138408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.138408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.168355 (E_RNA)
where:
Base-Base interactions energy: -230.967
where: short stacking energy: -97.804
Base-Backbone interact. energy: 0.879
local terms energy: -108.079589
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -28.796
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -313.083219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.083219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.173225 (E_RNA)
where:
Base-Base interactions energy: -200.491
where: short stacking energy: -98.472
Base-Backbone interact. energy: -0.025
local terms energy: -113.657410
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -35.285
Dist. restrs. and SS energy: 1.090 (S_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: 375
Temperature: 1.100000
Total energy: -280.964991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.964991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.989461 (E_RNA)
where:
Base-Base interactions energy: -185.433
where: short stacking energy: -84.003
Base-Backbone interact. energy: -0.251
local terms energy: -95.305197
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -279.776814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.778494 (E_RNA)
where:
Base-Base interactions energy: -185.516
where: short stacking energy: -85.693
Base-Backbone interact. energy: -0.285
local terms energy: -93.977971
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.002 (S_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: 375
Temperature: 1.200000
Total energy: -253.420260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.420260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.465439 (E_RNA)
where:
Base-Base interactions energy: -167.521
where: short stacking energy: -87.021
Base-Backbone interact. energy: 3.964
local terms energy: -89.908242
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -226.723577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.859127 (E_RNA)
where:
Base-Base interactions energy: -137.118
where: short stacking energy: -67.984
Base-Backbone interact. energy: 3.707
local terms energy: -93.448044
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -228.343050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.343050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.417722 (E_RNA)
where:
Base-Base interactions energy: -150.858
where: short stacking energy: -79.635
Base-Backbone interact. energy: 1.284
local terms energy: -78.843905
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -231.907339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.907339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.977114 (E_RNA)
where:
Base-Base interactions energy: -152.532
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.020
local terms energy: -79.424683
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -335.264767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.264767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.303621 (E_RNA)
where:
Base-Base interactions energy: -216.558
where: short stacking energy: -104.647
Base-Backbone interact. energy: -0.075
local terms energy: -118.670832
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -32.129
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -333.335196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.335196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.361831 (E_RNA)
where:
Base-Base interactions energy: -224.572
where: short stacking energy: -113.166
Base-Backbone interact. energy: -0.013
local terms energy: -108.776796
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -345.056714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.056714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.070353 (E_RNA)
where:
Base-Base interactions energy: -228.875
where: short stacking energy: -113.117
Base-Backbone interact. energy: -0.072
local terms energy: -116.123324
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. 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: -321.795438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.795438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.559607 (E_RNA)
where:
Base-Base interactions energy: -216.277
where: short stacking energy: -91.961
Base-Backbone interact. energy: -0.058
local terms energy: -107.224658
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -31.147
Dist. restrs. and SS energy: 1.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -285.684094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.684094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.740182 (E_RNA)
where:
Base-Base interactions energy: -192.893
where: short stacking energy: -78.107
Base-Backbone interact. energy: -0.139
local terms energy: -92.707858
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.056 (S_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: 376
Temperature: 1.150000
Total energy: -305.492775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.492775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.651078 (E_RNA)
where:
Base-Base interactions energy: -189.065
where: short stacking energy: -85.376
Base-Backbone interact. energy: -0.915
local terms energy: -115.671741
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.158 (S_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: 376
Temperature: 1.200000
Total energy: -261.946067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.946067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.072947 (E_RNA)
where:
Base-Base interactions energy: -174.495
where: short stacking energy: -84.823
Base-Backbone interact. energy: -0.054
local terms energy: -87.523366
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -246.464589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.464589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.528800 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.061
local terms energy: -85.203752
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -247.044809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.044809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.457434 (E_RNA)
where:
Base-Base interactions energy: -158.463
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.190
local terms energy: -88.804269
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. 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: -224.116096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.116096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.144611 (E_RNA)
where:
Base-Base interactions energy: -130.923
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.169
local terms energy: -93.052485
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -343.802532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.802532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.846971 (E_RNA)
where:
Base-Base interactions energy: -223.303
where: short stacking energy: -113.516
Base-Backbone interact. energy: -0.017
local terms energy: -120.526812
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -33.115
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -343.805909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.805909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.955901 (E_RNA)
where:
Base-Base interactions energy: -223.894
where: short stacking energy: -119.077
Base-Backbone interact. energy: -0.006
local terms energy: -120.055502
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -35.305
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -318.613826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.613826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.804603 (E_RNA)
where:
Base-Base interactions energy: -205.368
where: short stacking energy: -101.625
Base-Backbone interact. energy: -0.024
local terms energy: -113.413240
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -31.180
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -310.917657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.917657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.840699 (E_RNA)
where:
Base-Base interactions energy: -201.897
where: short stacking energy: -96.288
Base-Backbone interact. energy: -0.061
local terms energy: -109.882185
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -296.044431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.044431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.298356 (E_RNA)
where:
Base-Base interactions energy: -198.498
where: short stacking energy: -86.954
Base-Backbone interact. energy: -0.170
local terms energy: -97.630267
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.254 (S_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: 377
Temperature: 1.150000
Total energy: -295.115608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.115608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.294367 (E_RNA)
where:
Base-Base interactions energy: -188.319
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.115
local terms energy: -106.860214
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.179 (S_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: 377
Temperature: 1.200000
Total energy: -265.979688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.979688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.001893 (E_RNA)
where:
Base-Base interactions energy: -178.108
where: short stacking energy: -72.750
Base-Backbone interact. energy: -0.105
local terms energy: -87.788382
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -234.658963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.658963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.832240 (E_RNA)
where:
Base-Base interactions energy: -141.199
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.268
local terms energy: -93.365942
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -232.859387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.859387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.012469 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -74.111
Base-Backbone interact. energy: -0.125
local terms energy: -89.926290
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. 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: -219.963858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.963858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.391194 (E_RNA)
where:
Base-Base interactions energy: -135.231
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.042
local terms energy: -85.118180
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. 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: -344.485161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.485161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.516597 (E_RNA)
where:
Base-Base interactions energy: -235.321
where: short stacking energy: -112.587
Base-Backbone interact. energy: -0.018
local terms energy: -109.176694
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -335.500416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.500416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.786541 (E_RNA)
where:
Base-Base interactions energy: -213.788
where: short stacking energy: -114.448
Base-Backbone interact. energy: -0.281
local terms energy: -121.717401
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -32.001
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -305.645208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.645208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.581480 (E_RNA)
where:
Base-Base interactions energy: -210.178
where: short stacking energy: -97.858
Base-Backbone interact. energy: -0.130
local terms energy: -96.273280
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -314.129129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.129129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.166918 (E_RNA)
where:
Base-Base interactions energy: -209.969
where: short stacking energy: -101.796
Base-Backbone interact. energy: -0.179
local terms energy: -104.019077
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -29.455
Dist. restrs. and SS energy: 0.038 (S_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: 378
Temperature: 1.100000
Total energy: -298.616209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.616209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.618213 (E_RNA)
where:
Base-Base interactions energy: -204.332
where: short stacking energy: -89.866
Base-Backbone interact. energy: -0.677
local terms energy: -93.609693
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -286.896894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.896894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.910487 (E_RNA)
where:
Base-Base interactions energy: -194.787
where: short stacking energy: -92.923
Base-Backbone interact. energy: -0.195
local terms energy: -91.929283
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.014 (S_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: 378
Temperature: 1.200000
Total energy: -238.541925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.541925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.781722 (E_RNA)
where:
Base-Base interactions energy: -150.289
where: short stacking energy: -65.761
Base-Backbone interact. energy: -0.157
local terms energy: -88.335704
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.240 (S_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: 378
Temperature: 1.250000
Total energy: -264.536742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.536742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.683268 (E_RNA)
where:
Base-Base interactions energy: -177.800
where: short stacking energy: -76.235
Base-Backbone interact. energy: -0.055
local terms energy: -86.827788
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -228.781929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.781929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.796515 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.212
local terms energy: -82.715501
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. 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: -221.072668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.072668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193614 (E_RNA)
where:
Base-Base interactions energy: -132.606
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.936
local terms energy: -87.651527
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. 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: -355.372566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.372566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.470101 (E_RNA)
where:
Base-Base interactions energy: -239.336
where: short stacking energy: -105.781
Base-Backbone interact. energy: 0.911
local terms energy: -117.044606
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -28.435
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -318.807571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.807571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.765136 (E_RNA)
where:
Base-Base interactions energy: -213.060
where: short stacking energy: -87.834
Base-Backbone interact. energy: -0.990
local terms energy: -105.714469
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -28.232
Dist. restrs. and SS energy: 0.958 (S_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: -316.531454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.531454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.663783 (E_RNA)
where:
Base-Base interactions energy: -208.899
where: short stacking energy: -97.570
Base-Backbone interact. energy: -0.151
local terms energy: -107.613531
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -31.125
Dist. restrs. and SS energy: 0.132 (S_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: 379
Temperature: 1.050000
Total energy: -304.683031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.683031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.699708 (E_RNA)
where:
Base-Base interactions energy: -208.115
where: short stacking energy: -90.371
Base-Backbone interact. energy: -0.132
local terms energy: -96.452392
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -25.107
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -305.676645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.676645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.727519 (E_RNA)
where:
Base-Base interactions energy: -204.242
where: short stacking energy: -91.509
Base-Backbone interact. energy: -0.058
local terms energy: -101.427828
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -23.844
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -297.494881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.494881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.585635 (E_RNA)
where:
Base-Base interactions energy: -211.165
where: short stacking energy: -96.081
Base-Backbone interact. energy: -0.159
local terms energy: -86.261225
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.091 (S_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: 379
Temperature: 1.200000
Total energy: -245.616832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.616832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.643283 (E_RNA)
where:
Base-Base interactions energy: -167.353
where: short stacking energy: -78.229
Base-Backbone interact. energy: -0.169
local terms energy: -78.120877
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.026 (S_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: 379
Temperature: 1.250000
Total energy: -244.570851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.570851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.570851 (E_RNA)
where:
Base-Base interactions energy: -172.720
where: short stacking energy: -79.424
Base-Backbone interact. energy: -0.224
local terms energy: -71.626629
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -14.135
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: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -225.751147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.751147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.752755 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.332
local terms energy: -79.420807
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. 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: -179.280592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.280592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.597829 (E_RNA)
where:
Base-Base interactions energy: -120.448
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.480
local terms energy: -58.670549
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. 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: -349.251238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.251238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.251238 (E_RNA)
where:
Base-Base interactions energy: -238.054
where: short stacking energy: -116.727
Base-Backbone interact. energy: -1.197
local terms energy: -110.000918
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -336.464787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.464787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.514170 (E_RNA)
where:
Base-Base interactions energy: -222.818
where: short stacking energy: -101.559
Base-Backbone interact. energy: -0.108
local terms energy: -113.587889
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -28.007
Dist. restrs. and SS energy: 0.049 (S_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: 380
Temperature: 1.000000
Total energy: -324.880827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.880827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.994100 (E_RNA)
where:
Base-Base interactions energy: -214.766
where: short stacking energy: -95.302
Base-Backbone interact. energy: -0.172
local terms energy: -110.056139
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.113 (S_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: 380
Temperature: 1.050000
Total energy: -317.857066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.857066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.053210 (E_RNA)
where:
Base-Base interactions energy: -211.497
where: short stacking energy: -99.527
Base-Backbone interact. energy: -0.148
local terms energy: -106.408467
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -292.869818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.869818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.996577 (E_RNA)
where:
Base-Base interactions energy: -187.977
where: short stacking energy: -99.005
Base-Backbone interact. energy: -1.111
local terms energy: -105.907867
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: 2.127 (S_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: -282.525159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.525159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.700063 (E_RNA)
where:
Base-Base interactions energy: -192.466
where: short stacking energy: -83.549
Base-Backbone interact. energy: -0.217
local terms energy: -90.017845
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.175 (S_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: 380
Temperature: 1.200000
Total energy: -260.769148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.769148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.915365 (E_RNA)
where:
Base-Base interactions energy: -174.603
where: short stacking energy: -86.052
Base-Backbone interact. energy: -0.063
local terms energy: -86.248867
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -236.840925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.840925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.121641 (E_RNA)
where:
Base-Base interactions energy: -146.081
where: short stacking energy: -68.550
Base-Backbone interact. energy: -0.262
local terms energy: -90.779085
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. 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: -207.460977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.460977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.509680 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -63.382
Base-Backbone interact. energy: 0.084
local terms energy: -70.573017
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.049 (S_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: 380
Temperature: 1.350000
Total energy: -209.132954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.132954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.175881 (E_RNA)
where:
Base-Base interactions energy: -140.392
where: short stacking energy: -67.947
Base-Backbone interact. energy: 1.359
local terms energy: -70.142348
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. 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: -346.145352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.145352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.220177 (E_RNA)
where:
Base-Base interactions energy: -233.771
where: short stacking energy: -113.572
Base-Backbone interact. energy: -0.007
local terms energy: -112.442453
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.075 (S_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: 381
Temperature: 0.950000
Total energy: -331.701455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.701455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.787723 (E_RNA)
where:
Base-Base interactions energy: -214.577
where: short stacking energy: -100.233
Base-Backbone interact. energy: -0.944
local terms energy: -116.266772
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -28.510
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -323.430720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.430720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.439106 (E_RNA)
where:
Base-Base interactions energy: -210.946
where: short stacking energy: -101.537
Base-Backbone interact. energy: -0.700
local terms energy: -111.793315
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -293.298019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.298019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.334666 (E_RNA)
where:
Base-Base interactions energy: -184.955
where: short stacking energy: -92.865
Base-Backbone interact. energy: -1.081
local terms energy: -107.298988
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -24.738
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.037 (S_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: 381
Temperature: 1.100000
Total energy: -301.712285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.712285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.725386 (E_RNA)
where:
Base-Base interactions energy: -203.945
where: short stacking energy: -94.585
Base-Backbone interact. energy: -0.218
local terms energy: -97.562519
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.013 (S_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: -247.364027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.364027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.386516 (E_RNA)
where:
Base-Base interactions energy: -162.044
where: short stacking energy: -80.608
Base-Backbone interact. energy: -0.060
local terms energy: -85.282774
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.022 (S_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: 381
Temperature: 1.200000
Total energy: -256.416605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.416605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.522255 (E_RNA)
where:
Base-Base interactions energy: -176.402
where: short stacking energy: -86.206
Base-Backbone interact. energy: 2.355
local terms energy: -82.475493
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -240.266601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.266601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.670212 (E_RNA)
where:
Base-Base interactions energy: -149.330
where: short stacking energy: -71.760
Base-Backbone interact. energy: 0.860
local terms energy: -92.200529
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. 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: -238.463816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.463816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.412705 (E_RNA)
where:
Base-Base interactions energy: -161.096
where: short stacking energy: -67.360
Base-Backbone interact. energy: -1.017
local terms energy: -77.299289
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.949 (S_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: 381
Temperature: 1.350000
Total energy: -226.060062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.060062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.107211 (E_RNA)
where:
Base-Base interactions energy: -150.323
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.177
local terms energy: -75.606822
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. 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: -343.917881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.917881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.037493 (E_RNA)
where:
Base-Base interactions energy: -227.233
where: short stacking energy: -112.627
Base-Backbone interact. energy: -0.414
local terms energy: -116.390527
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -31.862
Dist. restrs. and SS energy: 0.120 (S_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: 382
Temperature: 0.950000
Total energy: -335.638724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.638724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.893918 (E_RNA)
where:
Base-Base interactions energy: -223.305
where: short stacking energy: -112.369
Base-Backbone interact. energy: -0.065
local terms energy: -112.523374
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -335.988107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.014199 (E_RNA)
where:
Base-Base interactions energy: -228.796
where: short stacking energy: -101.017
Base-Backbone interact. energy: -0.040
local terms energy: -107.177916
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -281.366609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.366609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.800491 (E_RNA)
where:
Base-Base interactions energy: -190.939
where: short stacking energy: -91.522
Base-Backbone interact. energy: -0.275
local terms energy: -91.587197
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -26.260
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -263.878272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.878272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.019422 (E_RNA)
where:
Base-Base interactions energy: -171.106
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.284
local terms energy: -92.628904
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -287.165062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.165062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.088215 (E_RNA)
where:
Base-Base interactions energy: -191.828
where: short stacking energy: -85.746
Base-Backbone interact. energy: -0.107
local terms energy: -96.153062
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -26.766
Dist. restrs. and SS energy: 0.923 (S_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: 382
Temperature: 1.200000
Total energy: -242.389936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.389936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.449450 (E_RNA)
where:
Base-Base interactions energy: -149.307
where: short stacking energy: -77.768
Base-Backbone interact. energy: -0.172
local terms energy: -92.970596
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.060 (S_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: 382
Temperature: 1.250000
Total energy: -231.483677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.483677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.537196 (E_RNA)
where:
Base-Base interactions energy: -144.195
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.140
local terms energy: -87.202459
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -243.093502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.093502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.191129 (E_RNA)
where:
Base-Base interactions energy: -155.592
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.061
local terms energy: -87.537756
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.098 (S_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: 382
Temperature: 1.350000
Total energy: -229.980525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.980525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.980525 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -64.022
Base-Backbone interact. energy: 0.210
local terms energy: -85.879141
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -16.763
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: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -341.749189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.749189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.777468 (E_RNA)
where:
Base-Base interactions energy: -217.610
where: short stacking energy: -102.585
Base-Backbone interact. energy: -0.020
local terms energy: -124.148356
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.028 (S_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: 383
Temperature: 0.950000
Total energy: -336.713523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.713523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.724315 (E_RNA)
where:
Base-Base interactions energy: -222.848
where: short stacking energy: -105.842
Base-Backbone interact. energy: -0.225
local terms energy: -113.651224
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -31.774
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -316.507096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.507096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.513843 (E_RNA)
where:
Base-Base interactions energy: -217.010
where: short stacking energy: -100.701
Base-Backbone interact. energy: -0.013
local terms energy: -99.490945
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -280.032689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.032689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.481978 (E_RNA)
where:
Base-Base interactions energy: -183.472
where: short stacking energy: -87.747
Base-Backbone interact. energy: -0.025
local terms energy: -96.985017
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -23.078
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -276.982936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.982936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.439342 (E_RNA)
where:
Base-Base interactions energy: -174.048
where: short stacking energy: -89.090
Base-Backbone interact. energy: -0.275
local terms energy: -103.116188
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -261.369443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.369443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.096391 (E_RNA)
where:
Base-Base interactions energy: -166.701
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.074
local terms energy: -96.321153
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 1.727 (S_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: 383
Temperature: 1.200000
Total energy: -255.886126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.886126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.886126 (E_RNA)
where:
Base-Base interactions energy: -161.802
where: short stacking energy: -82.195
Base-Backbone interact. energy: -0.139
local terms energy: -93.945982
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -247.261055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.261055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.592965 (E_RNA)
where:
Base-Base interactions energy: -157.868
where: short stacking energy: -85.346
Base-Backbone interact. energy: -0.359
local terms energy: -89.366791
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -233.797137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.797137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.913313 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -73.319
Base-Backbone interact. energy: -1.148
local terms energy: -88.370111
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.116 (S_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: 383
Temperature: 1.350000
Total energy: -223.364900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.364900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753552 (E_RNA)
where:
Base-Base interactions energy: -136.432
where: short stacking energy: -63.961
Base-Backbone interact. energy: 1.845
local terms energy: -89.167352
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -345.324156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.324156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.324156 (E_RNA)
where:
Base-Base interactions energy: -230.281
where: short stacking energy: -117.109
Base-Backbone interact. energy: -0.003
local terms energy: -115.040354
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -34.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -324.666813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.666813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.806049 (E_RNA)
where:
Base-Base interactions energy: -217.218
where: short stacking energy: -101.693
Base-Backbone interact. energy: -0.404
local terms energy: -107.184723
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -29.815
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -323.414878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.414878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.494443 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -101.527
Base-Backbone interact. energy: -0.938
local terms energy: -102.171032
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -271.057167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.057167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.127045 (E_RNA)
where:
Base-Base interactions energy: -166.845
where: short stacking energy: -78.149
Base-Backbone interact. energy: -1.246
local terms energy: -103.036353
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.070 (S_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: 384
Temperature: 1.100000
Total energy: -269.061154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.061154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.172226 (E_RNA)
where:
Base-Base interactions energy: -164.297
where: short stacking energy: -87.371
Base-Backbone interact. energy: -0.220
local terms energy: -104.655588
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -272.215542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.215542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.475878 (E_RNA)
where:
Base-Base interactions energy: -174.130
where: short stacking energy: -77.921
Base-Backbone interact. energy: -0.148
local terms energy: -98.198208
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.260 (S_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: 384
Temperature: 1.200000
Total energy: -243.105305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.105305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.205218 (E_RNA)
where:
Base-Base interactions energy: -152.922
where: short stacking energy: -73.112
Base-Backbone interact. energy: 1.677
local terms energy: -91.960032
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -245.652350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.652350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.652350 (E_RNA)
where:
Base-Base interactions energy: -166.212
where: short stacking energy: -63.236
Base-Backbone interact. energy: -0.194
local terms energy: -79.246425
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -19.329
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: 384
Temperature: 1.300000
Total energy: -221.711074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.711074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.740518 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.173
local terms energy: -82.372126
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. 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: -232.517058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.517058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.570657 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -73.083
Base-Backbone interact. energy: -0.118
local terms energy: -90.750187
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -347.181139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.181139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.315921 (E_RNA)
where:
Base-Base interactions energy: -230.646
where: short stacking energy: -109.289
Base-Backbone interact. energy: -0.086
local terms energy: -116.583749
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -33.183
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -316.488350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.488350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.701371 (E_RNA)
where:
Base-Base interactions energy: -206.492
where: short stacking energy: -92.316
Base-Backbone interact. energy: -0.314
local terms energy: -109.895909
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.213 (S_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: 385
Temperature: 1.000000
Total energy: -316.902963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.902963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.902963 (E_RNA)
where:
Base-Base interactions energy: -219.385
where: short stacking energy: -103.311
Base-Backbone interact. energy: -0.018
local terms energy: -97.499691
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -267.514920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.514920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.527676 (E_RNA)
where:
Base-Base interactions energy: -175.899
where: short stacking energy: -91.696
Base-Backbone interact. energy: -0.027
local terms energy: -91.601588
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.013 (S_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: 385
Temperature: 1.100000
Total energy: -265.614213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.614213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.685565 (E_RNA)
where:
Base-Base interactions energy: -164.849
where: short stacking energy: -81.844
Base-Backbone interact. energy: -0.371
local terms energy: -100.466005
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -270.874199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.874199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.960452 (E_RNA)
where:
Base-Base interactions energy: -177.984
where: short stacking energy: -83.735
Base-Backbone interact. energy: -0.148
local terms energy: -92.828359
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.086 (S_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: 385
Temperature: 1.200000
Total energy: -250.149708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.149708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.149708 (E_RNA)
where:
Base-Base interactions energy: -159.127
where: short stacking energy: -82.902
Base-Backbone interact. energy: -0.161
local terms energy: -90.862351
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -18.921
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -232.086637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.086637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.171393 (E_RNA)
where:
Base-Base interactions energy: -147.324
where: short stacking energy: -76.209
Base-Backbone interact. energy: -0.526
local terms energy: -84.322111
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -234.616756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.616756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.750366 (E_RNA)
where:
Base-Base interactions energy: -148.969
where: short stacking energy: -68.198
Base-Backbone interact. energy: -0.985
local terms energy: -84.796749
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. 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: -236.284524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.284524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.645505 (E_RNA)
where:
Base-Base interactions energy: -150.134
where: short stacking energy: -74.403
Base-Backbone interact. energy: -0.238
local terms energy: -86.273731
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -342.349413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.349413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.349413 (E_RNA)
where:
Base-Base interactions energy: -229.483
where: short stacking energy: -103.979
Base-Backbone interact. energy: -0.071
local terms energy: -112.795919
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -29.069
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -342.591010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.591010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.596153 (E_RNA)
where:
Base-Base interactions energy: -224.764
where: short stacking energy: -117.046
Base-Backbone interact. energy: -0.011
local terms energy: -117.821600
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.005 (S_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: 386
Temperature: 1.000000
Total energy: -307.621984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.621984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.010126 (E_RNA)
where:
Base-Base interactions energy: -213.066
where: short stacking energy: -102.114
Base-Backbone interact. energy: -0.038
local terms energy: -94.906184
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -26.205
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -268.936952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.936952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.979603 (E_RNA)
where:
Base-Base interactions energy: -168.337
where: short stacking energy: -92.909
Base-Backbone interact. energy: -0.733
local terms energy: -99.909158
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: 0.043 (S_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: 386
Temperature: 1.100000
Total energy: -259.891923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.891923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.914297 (E_RNA)
where:
Base-Base interactions energy: -163.839
where: short stacking energy: -86.588
Base-Backbone interact. energy: -0.090
local terms energy: -95.985540
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -252.587513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.587513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.831367 (E_RNA)
where:
Base-Base interactions energy: -159.424
where: short stacking energy: -82.104
Base-Backbone interact. energy: -0.130
local terms energy: -93.277054
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.244 (S_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: 386
Temperature: 1.200000
Total energy: -249.490059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.490059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.533649 (E_RNA)
where:
Base-Base interactions energy: -150.520
where: short stacking energy: -67.520
Base-Backbone interact. energy: -0.318
local terms energy: -98.695566
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -239.601303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.601303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.857584 (E_RNA)
where:
Base-Base interactions energy: -151.199
where: short stacking energy: -78.264
Base-Backbone interact. energy: -0.801
local terms energy: -87.857502
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -22.306
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -233.869642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.869642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.886686 (E_RNA)
where:
Base-Base interactions energy: -151.006
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.129
local terms energy: -82.751380
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. 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: -251.583513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.583513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.840244 (E_RNA)
where:
Base-Base interactions energy: -168.075
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.226
local terms energy: -83.539296
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -335.688380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.688380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.688380 (E_RNA)
where:
Base-Base interactions energy: -227.934
where: short stacking energy: -103.732
Base-Backbone interact. energy: -0.239
local terms energy: -107.515470
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -24.515
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: 387
Temperature: 0.950000
Total energy: -336.298658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.298658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.353183 (E_RNA)
where:
Base-Base interactions energy: -220.668
where: short stacking energy: -106.697
Base-Backbone interact. energy: 0.299
local terms energy: -115.984191
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -30.167
Dist. restrs. and SS energy: 0.055 (S_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: 387
Temperature: 1.000000
Total energy: -329.503452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.503452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.861583 (E_RNA)
where:
Base-Base interactions energy: -222.029
where: short stacking energy: -95.091
Base-Backbone interact. energy: -0.234
local terms energy: -107.598233
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.358 (S_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: -324.196741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.196741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.381560 (E_RNA)
where:
Base-Base interactions energy: -215.857
where: short stacking energy: -99.445
Base-Backbone interact. energy: -0.251
local terms energy: -108.273506
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -259.716245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.716245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.024817 (E_RNA)
where:
Base-Base interactions energy: -164.212
where: short stacking energy: -85.542
Base-Backbone interact. energy: -0.316
local terms energy: -95.497232
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.309 (S_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: 387
Temperature: 1.150000
Total energy: -250.921656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.945939 (E_RNA)
where:
Base-Base interactions energy: -154.466
where: short stacking energy: -73.910
Base-Backbone interact. energy: -0.168
local terms energy: -96.311454
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -236.978407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.978407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.988192 (E_RNA)
where:
Base-Base interactions energy: -154.632
where: short stacking energy: -76.087
Base-Backbone interact. energy: -0.131
local terms energy: -82.224641
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -238.609722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.609722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.804562 (E_RNA)
where:
Base-Base interactions energy: -160.530
where: short stacking energy: -68.044
Base-Backbone interact. energy: -1.036
local terms energy: -77.238022
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -233.644650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.644650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.645771 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.551
local terms energy: -85.632649
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. 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: -232.155041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.155041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.724730 (E_RNA)
where:
Base-Base interactions energy: -154.321
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.817
local terms energy: -77.586593
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. 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: -338.065497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.301847 (E_RNA)
where:
Base-Base interactions energy: -210.575
where: short stacking energy: -107.267
Base-Backbone interact. energy: -0.283
local terms energy: -127.444177
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -338.743707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.743707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.926853 (E_RNA)
where:
Base-Base interactions energy: -229.806
where: short stacking energy: -110.568
Base-Backbone interact. energy: -0.153
local terms energy: -108.967723
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 0.183 (S_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: 388
Temperature: 1.000000
Total energy: -320.226949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.226949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.720353 (E_RNA)
where:
Base-Base interactions energy: -217.326
where: short stacking energy: -106.692
Base-Backbone interact. energy: -0.073
local terms energy: -103.321336
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -26.316
Dist. restrs. and SS energy: 0.493 (S_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: -323.122489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.122489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.151869 (E_RNA)
where:
Base-Base interactions energy: -220.340
where: short stacking energy: -103.771
Base-Backbone interact. energy: -1.124
local terms energy: -101.688314
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -31.819
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -285.264863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.264863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.264863 (E_RNA)
where:
Base-Base interactions energy: -183.165
where: short stacking energy: -100.570
Base-Backbone interact. energy: -0.034
local terms energy: -102.066591
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -27.394
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: 388
Temperature: 1.150000
Total energy: -259.029339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.029339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.030594 (E_RNA)
where:
Base-Base interactions energy: -175.268
where: short stacking energy: -86.043
Base-Backbone interact. energy: -0.092
local terms energy: -83.670671
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.001 (S_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: 388
Temperature: 1.200000
Total energy: -258.315371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.315371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.367545 (E_RNA)
where:
Base-Base interactions energy: -157.604
where: short stacking energy: -63.570
Base-Backbone interact. energy: -0.358
local terms energy: -100.405390
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. 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: -242.403509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.403509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.403509 (E_RNA)
where:
Base-Base interactions energy: -155.534
where: short stacking energy: -75.987
Base-Backbone interact. energy: -0.390
local terms energy: -86.478767
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -23.664
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -16.989
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: 388
Temperature: 1.300000
Total energy: -244.265596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.265596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.842384 (E_RNA)
where:
Base-Base interactions energy: -161.322
where: short stacking energy: -70.196
Base-Backbone interact. energy: -0.193
local terms energy: -83.327391
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -215.855588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.855588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.932828 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.601
local terms energy: -72.051904
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. 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: -335.495779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.495779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.528848 (E_RNA)
where:
Base-Base interactions energy: -214.286
where: short stacking energy: -112.763
Base-Backbone interact. energy: -0.011
local terms energy: -121.231949
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -31.679
Dist. restrs. and SS energy: 0.033 (S_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: 389
Temperature: 0.950000
Total energy: -329.842375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.842375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.881864 (E_RNA)
where:
Base-Base interactions energy: -217.532
where: short stacking energy: -95.572
Base-Backbone interact. energy: -0.177
local terms energy: -112.173299
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -318.846911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.846911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.507842 (E_RNA)
where:
Base-Base interactions energy: -216.850
where: short stacking energy: -96.467
Base-Backbone interact. energy: -0.171
local terms energy: -102.487036
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -27.710
Dist. restrs. and SS energy: 0.661 (S_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: -309.937397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.937397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.048433 (E_RNA)
where:
Base-Base interactions energy: -209.912
where: short stacking energy: -103.589
Base-Backbone interact. energy: -0.458
local terms energy: -99.679130
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -261.400544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.400544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.516225 (E_RNA)
where:
Base-Base interactions energy: -161.994
where: short stacking energy: -89.172
Base-Backbone interact. energy: -0.282
local terms energy: -99.240525
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -26.677
Dist. restrs. and SS energy: 0.116 (S_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: -252.792487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.792487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.905953 (E_RNA)
where:
Base-Base interactions energy: -163.046
where: short stacking energy: -71.952
Base-Backbone interact. energy: -0.226
local terms energy: -89.633208
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.113 (S_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: -248.617825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.617825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.643185 (E_RNA)
where:
Base-Base interactions energy: -160.128
where: short stacking energy: -74.664
Base-Backbone interact. energy: -0.233
local terms energy: -88.282958
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. 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: -239.079949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.079949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.084252 (E_RNA)
where:
Base-Base interactions energy: -145.981
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.398
local terms energy: -92.705106
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. 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: -222.518200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.518200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.709428 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -63.837
Base-Backbone interact. energy: 0.088
local terms energy: -86.194243
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -221.620789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.620789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.664842 (E_RNA)
where:
Base-Base interactions energy: -138.153
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.143
local terms energy: -83.368875
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -334.019609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.019609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.075705 (E_RNA)
where:
Base-Base interactions energy: -229.203
where: short stacking energy: -106.004
Base-Backbone interact. energy: -0.471
local terms energy: -104.401819
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -29.876
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -339.579510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.579510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.671902 (E_RNA)
where:
Base-Base interactions energy: -223.995
where: short stacking energy: -123.244
Base-Backbone interact. energy: -0.168
local terms energy: -115.508583
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -36.381
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -321.783648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.783648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.907278 (E_RNA)
where:
Base-Base interactions energy: -221.676
where: short stacking energy: -105.238
Base-Backbone interact. energy: -0.121
local terms energy: -100.110639
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.124 (S_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: 390
Temperature: 1.050000
Total energy: -318.472305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.472305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.775583 (E_RNA)
where:
Base-Base interactions energy: -215.347
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.090
local terms energy: -103.338391
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -29.068
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. 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: -264.852381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.852381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.333143 (E_RNA)
where:
Base-Base interactions energy: -173.769
where: short stacking energy: -71.099
Base-Backbone interact. energy: -0.432
local terms energy: -92.131731
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 1.481 (S_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: 390
Temperature: 1.150000
Total energy: -248.999050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.999050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.055390 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -82.164
Base-Backbone interact. energy: -0.205
local terms energy: -97.935749
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -221.507833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.507833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.542517 (E_RNA)
where:
Base-Base interactions energy: -134.418
where: short stacking energy: -56.903
Base-Backbone interact. energy: 0.240
local terms energy: -87.364410
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -247.060742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.060742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.060742 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -78.705
Base-Backbone interact. energy: -0.094
local terms energy: -91.707241
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.687
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: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -226.857997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.857997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.872250 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.047
local terms energy: -93.435078
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. 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: -235.789710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.789710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.860534 (E_RNA)
where:
Base-Base interactions energy: -163.108
where: short stacking energy: -79.195
Base-Backbone interact. energy: 1.089
local terms energy: -73.841916
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -332.708347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.708347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.710025 (E_RNA)
where:
Base-Base interactions energy: -222.693
where: short stacking energy: -97.802
Base-Backbone interact. energy: -0.018
local terms energy: -109.998463
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -309.123105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.123105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.268761 (E_RNA)
where:
Base-Base interactions energy: -202.733
where: short stacking energy: -87.760
Base-Backbone interact. energy: 0.628
local terms energy: -107.164597
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -335.093052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.093052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.204593 (E_RNA)
where:
Base-Base interactions energy: -213.502
where: short stacking energy: -109.024
Base-Backbone interact. energy: -0.051
local terms energy: -121.651508
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -32.568
Dist. restrs. and SS energy: 0.112 (S_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: 391
Temperature: 1.050000
Total energy: -331.895485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.895485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.664679 (E_RNA)
where:
Base-Base interactions energy: -219.364
where: short stacking energy: -92.085
Base-Backbone interact. energy: -0.709
local terms energy: -112.592103
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -28.389
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. 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: -258.072312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.072312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.260058 (E_RNA)
where:
Base-Base interactions energy: -157.767
where: short stacking energy: -68.009
Base-Backbone interact. energy: -1.531
local terms energy: -99.961976
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 1.188 (S_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: 391
Temperature: 1.150000
Total energy: -254.262199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.262199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.667679 (E_RNA)
where:
Base-Base interactions energy: -158.689
where: short stacking energy: -83.000
Base-Backbone interact. energy: -0.111
local terms energy: -95.867603
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -251.275299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.275299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.386468 (E_RNA)
where:
Base-Base interactions energy: -150.039
where: short stacking energy: -73.728
Base-Backbone interact. energy: -0.847
local terms energy: -100.500149
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -23.728
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -241.528951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.528951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.615157 (E_RNA)
where:
Base-Base interactions energy: -156.602
where: short stacking energy: -71.926
Base-Backbone interact. energy: 0.869
local terms energy: -85.882054
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -237.348558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.348558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.370552 (E_RNA)
where:
Base-Base interactions energy: -158.363
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.203
local terms energy: -78.805064
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. 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: -200.545525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.545525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739329 (E_RNA)
where:
Base-Base interactions energy: -127.534
where: short stacking energy: -56.675
Base-Backbone interact. energy: 0.282
local terms energy: -73.487605
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -332.071777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.071777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.077499 (E_RNA)
where:
Base-Base interactions energy: -219.273
where: short stacking energy: -102.856
Base-Backbone interact. energy: -0.047
local terms energy: -112.758022
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -30.547
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -334.469539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.469539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.561652 (E_RNA)
where:
Base-Base interactions energy: -223.954
where: short stacking energy: -100.618
Base-Backbone interact. energy: -0.199
local terms energy: -110.408513
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.092 (S_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: 392
Temperature: 1.000000
Total energy: -317.803172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.803172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.834544 (E_RNA)
where:
Base-Base interactions energy: -215.252
where: short stacking energy: -98.969
Base-Backbone interact. energy: -0.068
local terms energy: -102.513915
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -329.129174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.129174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.164165 (E_RNA)
where:
Base-Base interactions energy: -220.410
where: short stacking energy: -99.123
Base-Backbone interact. energy: -0.039
local terms energy: -108.714810
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.035 (S_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: 392
Temperature: 1.100000
Total energy: -274.927337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.927337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.016422 (E_RNA)
where:
Base-Base interactions energy: -175.751
where: short stacking energy: -80.088
Base-Backbone interact. energy: -0.551
local terms energy: -98.714280
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.089 (S_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: -245.948737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.948737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.308148 (E_RNA)
where:
Base-Base interactions energy: -157.637
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.174
local terms energy: -88.497808
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -242.618729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.618729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.746873 (E_RNA)
where:
Base-Base interactions energy: -150.249
where: short stacking energy: -74.785
Base-Backbone interact. energy: 1.016
local terms energy: -93.514083
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -242.728034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.728034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.800873 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -78.291
Base-Backbone interact. energy: -0.217
local terms energy: -95.440352
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -218.005446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.005446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.391778 (E_RNA)
where:
Base-Base interactions energy: -146.504
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.459
local terms energy: -71.429094
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. 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: -199.914415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.914415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.914415 (E_RNA)
where:
Base-Base interactions energy: -126.927
where: short stacking energy: -51.531
Base-Backbone interact. energy: 0.124
local terms energy: -73.111652
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -333.120267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.120267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.120267 (E_RNA)
where:
Base-Base interactions energy: -217.504
where: short stacking energy: -99.471
Base-Backbone interact. energy: -0.352
local terms energy: -115.264353
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -325.082269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.082269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.141036 (E_RNA)
where:
Base-Base interactions energy: -211.812
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.155
local terms energy: -113.173905
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -28.906
Dist. restrs. and SS energy: 0.059 (S_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: -318.931831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.931831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.015968 (E_RNA)
where:
Base-Base interactions energy: -212.094
where: short stacking energy: -96.722
Base-Backbone interact. energy: 1.598
local terms energy: -108.520588
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -316.542200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.542200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.581949 (E_RNA)
where:
Base-Base interactions energy: -210.133
where: short stacking energy: -100.497
Base-Backbone interact. energy: -0.043
local terms energy: -106.405920
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.040 (S_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: -268.469171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.469171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.486853 (E_RNA)
where:
Base-Base interactions energy: -175.667
where: short stacking energy: -94.936
Base-Backbone interact. energy: -0.242
local terms energy: -92.577882
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.018 (S_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: -302.232955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.232955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.837850 (E_RNA)
where:
Base-Base interactions energy: -210.106
where: short stacking energy: -99.509
Base-Backbone interact. energy: 0.088
local terms energy: -92.820807
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -27.063
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -238.661642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.661642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.695061 (E_RNA)
where:
Base-Base interactions energy: -155.657
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.221
local terms energy: -82.817132
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -242.957561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.957561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.401285 (E_RNA)
where:
Base-Base interactions energy: -151.785
where: short stacking energy: -76.197
Base-Backbone interact. energy: -0.006
local terms energy: -91.610020
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -21.893
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -240.556274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.556274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.292309 (E_RNA)
where:
Base-Base interactions energy: -158.407
where: short stacking energy: -63.007
Base-Backbone interact. energy: -0.400
local terms energy: -83.485695
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. 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: -215.527785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.527785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.545926 (E_RNA)
where:
Base-Base interactions energy: -144.465
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.328
local terms energy: -70.752714
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -332.225725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.225725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.307768 (E_RNA)
where:
Base-Base interactions energy: -228.768
where: short stacking energy: -103.672
Base-Backbone interact. energy: 2.443
local terms energy: -105.982986
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -316.875672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.875672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.077977 (E_RNA)
where:
Base-Base interactions energy: -210.461
where: short stacking energy: -93.314
Base-Backbone interact. energy: -0.270
local terms energy: -106.347602
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -323.327413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.327413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.350944 (E_RNA)
where:
Base-Base interactions energy: -215.995
where: short stacking energy: -100.621
Base-Backbone interact. energy: -0.155
local terms energy: -107.200757
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.024 (S_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: 394
Temperature: 1.050000
Total energy: -312.476063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.476063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.785569 (E_RNA)
where:
Base-Base interactions energy: -208.475
where: short stacking energy: -99.563
Base-Backbone interact. energy: -0.203
local terms energy: -104.107572
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -317.815814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.815814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.848004 (E_RNA)
where:
Base-Base interactions energy: -208.035
where: short stacking energy: -103.647
Base-Backbone interact. energy: -0.027
local terms energy: -109.785926
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -28.282
Dist. restrs. and SS energy: 0.032 (S_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: 394
Temperature: 1.150000
Total energy: -243.923073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.923073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.949050 (E_RNA)
where:
Base-Base interactions energy: -146.859
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.633
local terms energy: -96.457386
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. 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: -242.462325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.462325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.535940 (E_RNA)
where:
Base-Base interactions energy: -159.186
where: short stacking energy: -79.128
Base-Backbone interact. energy: -0.016
local terms energy: -83.333945
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. 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: -240.863275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.863275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.907889 (E_RNA)
where:
Base-Base interactions energy: -146.425
where: short stacking energy: -68.647
Base-Backbone interact. energy: 1.629
local terms energy: -96.111896
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -235.471302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.471302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.634193 (E_RNA)
where:
Base-Base interactions energy: -154.125
where: short stacking energy: -72.074
Base-Backbone interact. energy: -0.224
local terms energy: -81.285089
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -204.995766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.999392 (E_RNA)
where:
Base-Base interactions energy: -132.677
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.201
local terms energy: -72.121829
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -327.713424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.713424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.906299 (E_RNA)
where:
Base-Base interactions energy: -222.096
where: short stacking energy: -98.946
Base-Backbone interact. energy: -0.229
local terms energy: -105.580938
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -343.924631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.924631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.945943 (E_RNA)
where:
Base-Base interactions energy: -229.667
where: short stacking energy: -119.368
Base-Backbone interact. energy: -0.009
local terms energy: -114.269216
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -32.588
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -315.716720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.716720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.268127 (E_RNA)
where:
Base-Base interactions energy: -209.582
where: short stacking energy: -90.230
Base-Backbone interact. energy: -0.359
local terms energy: -106.327249
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -308.358851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.358851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.432679 (E_RNA)
where:
Base-Base interactions energy: -211.848
where: short stacking energy: -98.736
Base-Backbone interact. energy: -0.198
local terms energy: -96.387181
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -26.839
Dist. restrs. and SS energy: 0.074 (S_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: 395
Temperature: 1.100000
Total energy: -305.243658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.243658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.302615 (E_RNA)
where:
Base-Base interactions energy: -202.288
where: short stacking energy: -91.295
Base-Backbone interact. energy: -0.457
local terms energy: -102.557855
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.059 (S_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: 395
Temperature: 1.150000
Total energy: -253.950613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.950613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.950613 (E_RNA)
where:
Base-Base interactions energy: -163.421
where: short stacking energy: -81.165
Base-Backbone interact. energy: -0.193
local terms energy: -90.336073
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -247.798251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.798251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.834464 (E_RNA)
where:
Base-Base interactions energy: -162.156
where: short stacking energy: -80.198
Base-Backbone interact. energy: -0.222
local terms energy: -85.456907
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -232.494080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.494080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.772268 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.594
local terms energy: -88.603620
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -229.584768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.584768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.690232 (E_RNA)
where:
Base-Base interactions energy: -146.968
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.123
local terms energy: -82.599056
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -222.735658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.735658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.845319 (E_RNA)
where:
Base-Base interactions energy: -143.882
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.673
local terms energy: -78.290746
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. 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: -352.430618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.430618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.497564 (E_RNA)
where:
Base-Base interactions energy: -236.109
where: short stacking energy: -109.694
Base-Backbone interact. energy: -0.073
local terms energy: -116.316457
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -34.303
Dist. restrs. and SS energy: 0.067 (S_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: 396
Temperature: 0.950000
Total energy: -328.064043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.064043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.069759 (E_RNA)
where:
Base-Base interactions energy: -221.650
where: short stacking energy: -96.806
Base-Backbone interact. energy: -0.213
local terms energy: -106.206782
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -315.319502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.319502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.510830 (E_RNA)
where:
Base-Base interactions energy: -206.049
where: short stacking energy: -99.530
Base-Backbone interact. energy: 1.539
local terms energy: -111.000525
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -306.606446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.606446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.614328 (E_RNA)
where:
Base-Base interactions energy: -214.590
where: short stacking energy: -85.526
Base-Backbone interact. energy: -0.229
local terms energy: -91.795258
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.008 (S_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: 396
Temperature: 1.100000
Total energy: -309.650583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.650583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.738891 (E_RNA)
where:
Base-Base interactions energy: -201.771
where: short stacking energy: -96.449
Base-Backbone interact. energy: -0.091
local terms energy: -108.876687
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -29.942
Dist. restrs. and SS energy: 1.088 (S_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: 396
Temperature: 1.150000
Total energy: -271.257172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.257172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.418285 (E_RNA)
where:
Base-Base interactions energy: -170.154
where: short stacking energy: -92.336
Base-Backbone interact. energy: 0.936
local terms energy: -102.199725
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -228.555207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.555207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.555207 (E_RNA)
where:
Base-Base interactions energy: -147.576
where: short stacking energy: -65.355
Base-Backbone interact. energy: 1.390
local terms energy: -82.368935
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -232.192352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.192352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.450413 (E_RNA)
where:
Base-Base interactions energy: -147.928
where: short stacking energy: -70.753
Base-Backbone interact. energy: 0.094
local terms energy: -84.616567
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -225.724694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.724694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.906860 (E_RNA)
where:
Base-Base interactions energy: -144.211
where: short stacking energy: -67.671
Base-Backbone interact. energy: 1.731
local terms energy: -83.426197
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -212.323348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.323348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.676169 (E_RNA)
where:
Base-Base interactions energy: -137.716
where: short stacking energy: -70.914
Base-Backbone interact. energy: -0.076
local terms energy: -74.884017
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. 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: -342.569954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.569954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.613169 (E_RNA)
where:
Base-Base interactions energy: -231.870
where: short stacking energy: -112.826
Base-Backbone interact. energy: -0.246
local terms energy: -110.497395
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -33.180
Dist. restrs. and SS energy: 0.043 (S_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: 397
Temperature: 0.950000
Total energy: -341.561162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.561162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.561162 (E_RNA)
where:
Base-Base interactions energy: -231.646
where: short stacking energy: -109.118
Base-Backbone interact. energy: -0.163
local terms energy: -109.751646
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -31.852
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -310.872947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.872947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.884127 (E_RNA)
where:
Base-Base interactions energy: -201.192
where: short stacking energy: -93.460
Base-Backbone interact. energy: -0.173
local terms energy: -109.519055
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 0.011 (S_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: 397
Temperature: 1.050000
Total energy: -300.916361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.916361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.309411 (E_RNA)
where:
Base-Base interactions energy: -198.390
where: short stacking energy: -95.301
Base-Backbone interact. energy: 0.083
local terms energy: -104.002488
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -299.931351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.931351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.935636 (E_RNA)
where:
Base-Base interactions energy: -203.664
where: short stacking energy: -90.194
Base-Backbone interact. energy: -0.011
local terms energy: -96.260643
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.004 (S_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: 397
Temperature: 1.150000
Total energy: -259.434698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.434698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.495438 (E_RNA)
where:
Base-Base interactions energy: -170.431
where: short stacking energy: -91.029
Base-Backbone interact. energy: 0.337
local terms energy: -89.401711
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -241.348650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.348650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.392826 (E_RNA)
where:
Base-Base interactions energy: -154.446
where: short stacking energy: -77.794
Base-Backbone interact. energy: -0.141
local terms energy: -86.806180
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -241.542429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.542429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.728178 (E_RNA)
where:
Base-Base interactions energy: -147.753
where: short stacking energy: -77.139
Base-Backbone interact. energy: -0.155
local terms energy: -93.820131
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -245.811377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.811377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.891403 (E_RNA)
where:
Base-Base interactions energy: -157.244
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.127
local terms energy: -88.520788
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -223.082132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.082132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.135205 (E_RNA)
where:
Base-Base interactions energy: -136.622
where: short stacking energy: -65.162
Base-Backbone interact. energy: -0.227
local terms energy: -86.285864
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -339.639661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.639661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.705894 (E_RNA)
where:
Base-Base interactions energy: -228.239
where: short stacking energy: -113.803
Base-Backbone interact. energy: -0.447
local terms energy: -111.019968
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -31.299
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -340.415643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.415643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.479700 (E_RNA)
where:
Base-Base interactions energy: -222.938
where: short stacking energy: -107.863
Base-Backbone interact. energy: -0.120
local terms energy: -117.422527
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -35.709
Dist. restrs. and SS energy: 0.064 (S_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: -316.339415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.339415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.447275 (E_RNA)
where:
Base-Base interactions energy: -210.563
where: short stacking energy: -101.078
Base-Backbone interact. energy: -0.108
local terms energy: -106.775935
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -29.485
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. 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: -313.543699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.543699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.553334 (E_RNA)
where:
Base-Base interactions energy: -200.940
where: short stacking energy: -89.115
Base-Backbone interact. energy: -0.382
local terms energy: -112.231571
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -297.717278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.717278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.776310 (E_RNA)
where:
Base-Base interactions energy: -209.465
where: short stacking energy: -97.871
Base-Backbone interact. energy: -0.063
local terms energy: -88.248399
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -27.198
Dist. restrs. and SS energy: 0.059 (S_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: 398
Temperature: 1.150000
Total energy: -247.425671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.425671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.464765 (E_RNA)
where:
Base-Base interactions energy: -155.606
where: short stacking energy: -79.889
Base-Backbone interact. energy: -0.545
local terms energy: -91.313421
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -263.596736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.596736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.605950 (E_RNA)
where:
Base-Base interactions energy: -163.783
where: short stacking energy: -78.495
Base-Backbone interact. energy: -0.292
local terms energy: -99.531678
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -216.782403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.782403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.862375 (E_RNA)
where:
Base-Base interactions energy: -131.236
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.169
local terms energy: -85.456781
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -229.345009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.345009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.771680 (E_RNA)
where:
Base-Base interactions energy: -149.674
where: short stacking energy: -72.620
Base-Backbone interact. energy: -0.458
local terms energy: -79.639983
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.427 (S_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: 398
Temperature: 1.350000
Total energy: -243.126949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.126949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.126949 (E_RNA)
where:
Base-Base interactions energy: -151.047
where: short stacking energy: -79.126
Base-Backbone interact. energy: -0.196
local terms energy: -91.884622
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -345.040852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.040852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.077891 (E_RNA)
where:
Base-Base interactions energy: -227.524
where: short stacking energy: -104.304
Base-Backbone interact. energy: -0.068
local terms energy: -117.485834
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -32.542
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -345.695529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.695529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.695529 (E_RNA)
where:
Base-Base interactions energy: -228.130
where: short stacking energy: -117.071
Base-Backbone interact. energy: -0.003
local terms energy: -117.562777
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -37.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -311.646320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.646320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.217646 (E_RNA)
where:
Base-Base interactions energy: -210.201
where: short stacking energy: -109.288
Base-Backbone interact. energy: -0.109
local terms energy: -103.907712
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -30.485
Dist. restrs. and SS energy: 2.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -319.007353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.007353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.130127 (E_RNA)
where:
Base-Base interactions energy: -211.817
where: short stacking energy: -102.250
Base-Backbone interact. energy: -0.071
local terms energy: -107.242361
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -29.973
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. 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: -299.518764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.518764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.529592 (E_RNA)
where:
Base-Base interactions energy: -204.965
where: short stacking energy: -95.659
Base-Backbone interact. energy: -0.543
local terms energy: -96.021748
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -27.675
Dist. restrs. and SS energy: 2.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -270.623031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.623031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.647256 (E_RNA)
where:
Base-Base interactions energy: -176.182
where: short stacking energy: -76.113
Base-Backbone interact. energy: -0.369
local terms energy: -94.096377
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.024 (S_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: 399
Temperature: 1.200000
Total energy: -239.043102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.043102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.085282 (E_RNA)
where:
Base-Base interactions energy: -151.641
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.300
local terms energy: -87.144715
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -224.451977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.451977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.575256 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -66.457
Base-Backbone interact. energy: 0.526
local terms energy: -74.075378
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -231.494653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.494653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.546250 (E_RNA)
where:
Base-Base interactions energy: -144.205
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.272
local terms energy: -87.068905
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.052 (S_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: 399
Temperature: 1.350000
Total energy: -222.992579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.992579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254898 (E_RNA)
where:
Base-Base interactions energy: -148.316
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.332
local terms energy: -74.606691
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -341.626173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.626173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.634325 (E_RNA)
where:
Base-Base interactions energy: -226.395
where: short stacking energy: -107.319
Base-Backbone interact. energy: -0.101
local terms energy: -115.138909
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.008 (S_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: 400
Temperature: 0.950000
Total energy: -333.591633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.591633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.615672 (E_RNA)
where:
Base-Base interactions energy: -217.099
where: short stacking energy: -106.295
Base-Backbone interact. energy: 1.809
local terms energy: -118.326435
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -34.173
Dist. restrs. and SS energy: 0.024 (S_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: 400
Temperature: 1.000000
Total energy: -310.829869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.829869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.514313 (E_RNA)
where:
Base-Base interactions energy: -202.430
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.274
local terms energy: -109.810097
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -28.151
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -321.968629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.968629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.983167 (E_RNA)
where:
Base-Base interactions energy: -216.357
where: short stacking energy: -107.076
Base-Backbone interact. energy: -0.168
local terms energy: -105.458548
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -308.396998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.396998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.435096 (E_RNA)
where:
Base-Base interactions energy: -214.312
where: short stacking energy: -104.702
Base-Backbone interact. energy: -0.180
local terms energy: -93.943999
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -257.914670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.914670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.958518 (E_RNA)
where:
Base-Base interactions energy: -167.081
where: short stacking energy: -89.998
Base-Backbone interact. energy: -0.192
local terms energy: -90.684646
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.044 (S_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: 400
Temperature: 1.200000
Total energy: -247.281362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.281362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.559024 (E_RNA)
where:
Base-Base interactions energy: -161.346
where: short stacking energy: -87.323
Base-Backbone interact. energy: -0.049
local terms energy: -86.164675
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.278 (S_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: 400
Temperature: 1.250000
Total energy: -226.034381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.034381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.034381 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.863
local terms energy: -87.576212
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -15.172
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -241.264468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.264468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.270109 (E_RNA)
where:
Base-Base interactions energy: -159.550
where: short stacking energy: -87.216
Base-Backbone interact. energy: -0.296
local terms energy: -81.424468
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.006 (S_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: 400
Temperature: 1.350000
Total energy: -234.750559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.750559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.821364 (E_RNA)
where:
Base-Base interactions energy: -141.785
where: short stacking energy: -69.840
Base-Backbone interact. energy: 0.525
local terms energy: -93.561100
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -348.533947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.533947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.611527 (E_RNA)
where:
Base-Base interactions energy: -239.175
where: short stacking energy: -106.430
Base-Backbone interact. energy: -0.413
local terms energy: -109.023091
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -332.136325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.136325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.323135 (E_RNA)
where:
Base-Base interactions energy: -216.468
where: short stacking energy: -107.790
Base-Backbone interact. energy: -0.002
local terms energy: -117.852785
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -35.983
Dist. restrs. and SS energy: 2.187 (S_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: 401
Temperature: 1.000000
Total energy: -337.964180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.964180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.964180 (E_RNA)
where:
Base-Base interactions energy: -231.635
where: short stacking energy: -102.251
Base-Backbone interact. energy: -0.167
local terms energy: -106.162356
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -30.832
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -318.613136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.613136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.704458 (E_RNA)
where:
Base-Base interactions energy: -209.040
where: short stacking energy: -92.357
Base-Backbone interact. energy: -0.960
local terms energy: -108.704659
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. 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: -312.957870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.957870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.983171 (E_RNA)
where:
Base-Base interactions energy: -202.237
where: short stacking energy: -99.262
Base-Backbone interact. energy: -0.133
local terms energy: -110.612848
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -258.958427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.958427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.213314 (E_RNA)
where:
Base-Base interactions energy: -167.321
where: short stacking energy: -88.819
Base-Backbone interact. energy: -0.393
local terms energy: -91.498912
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -28.485
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -237.462941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.462941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.551610 (E_RNA)
where:
Base-Base interactions energy: -153.114
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.244
local terms energy: -84.192993
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. 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: -242.860562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.860562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.888253 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -73.557
Base-Backbone interact. energy: 0.918
local terms energy: -92.451104
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.028 (S_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: 401
Temperature: 1.300000
Total energy: -235.972624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.972624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.045319 (E_RNA)
where:
Base-Base interactions energy: -149.088
where: short stacking energy: -73.434
Base-Backbone interact. energy: -0.151
local terms energy: -86.806140
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.073 (S_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: 401
Temperature: 1.350000
Total energy: -217.133147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.217722 (E_RNA)
where:
Base-Base interactions energy: -137.025
where: short stacking energy: -64.335
Base-Backbone interact. energy: 0.653
local terms energy: -80.845743
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -323.102842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.102842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.075604 (E_RNA)
where:
Base-Base interactions energy: -218.680
where: short stacking energy: -105.170
Base-Backbone interact. energy: -0.297
local terms energy: -106.098631
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -341.114164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.114164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.135376 (E_RNA)
where:
Base-Base interactions energy: -231.413
where: short stacking energy: -110.218
Base-Backbone interact. energy: -0.011
local terms energy: -109.711638
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -31.973
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -334.914832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.914832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.308353 (E_RNA)
where:
Base-Base interactions energy: -224.821
where: short stacking energy: -104.061
Base-Backbone interact. energy: -0.081
local terms energy: -110.407122
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.394 (S_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: 402
Temperature: 1.050000
Total energy: -328.700194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.700194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.701023 (E_RNA)
where:
Base-Base interactions energy: -219.978
where: short stacking energy: -106.612
Base-Backbone interact. energy: -0.568
local terms energy: -108.155165
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. 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: -307.992071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.992071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.026349 (E_RNA)
where:
Base-Base interactions energy: -209.958
where: short stacking energy: -105.927
Base-Backbone interact. energy: -0.010
local terms energy: -98.058379
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -28.924
Dist. restrs. and SS energy: 0.034 (S_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: 402
Temperature: 1.150000
Total energy: -269.891362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.891362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.116922 (E_RNA)
where:
Base-Base interactions energy: -167.188
where: short stacking energy: -77.927
Base-Backbone interact. energy: -0.151
local terms energy: -102.776980
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -257.747010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.747010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.798183 (E_RNA)
where:
Base-Base interactions energy: -169.918
where: short stacking energy: -88.957
Base-Backbone interact. energy: -0.183
local terms energy: -87.698000
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -240.593862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.593862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.840397 (E_RNA)
where:
Base-Base interactions energy: -148.255
where: short stacking energy: -73.946
Base-Backbone interact. energy: -0.081
local terms energy: -92.504804
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -232.860120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.860120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.961165 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.329
local terms energy: -90.315599
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.101 (S_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: 402
Temperature: 1.350000
Total energy: -229.539928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.539928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.646281 (E_RNA)
where:
Base-Base interactions energy: -141.984
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.638
local terms energy: -87.023727
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -333.951343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.951343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.700458 (E_RNA)
where:
Base-Base interactions energy: -215.745
where: short stacking energy: -101.920
Base-Backbone interact. energy: 0.279
local terms energy: -119.234759
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -347.877340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.877340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.029918 (E_RNA)
where:
Base-Base interactions energy: -235.938
where: short stacking energy: -101.248
Base-Backbone interact. energy: -0.150
local terms energy: -111.942213
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -323.702726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.702726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.724710 (E_RNA)
where:
Base-Base interactions energy: -216.482
where: short stacking energy: -104.592
Base-Backbone interact. energy: 0.633
local terms energy: -107.875391
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -33.648
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -308.458193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.458193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.458193 (E_RNA)
where:
Base-Base interactions energy: -204.309
where: short stacking energy: -95.568
Base-Backbone interact. energy: -0.047
local terms energy: -104.101677
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -25.001
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: 403
Temperature: 1.100000
Total energy: -299.819509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.819509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.003297 (E_RNA)
where:
Base-Base interactions energy: -198.263
where: short stacking energy: -87.738
Base-Backbone interact. energy: -0.027
local terms energy: -101.713267
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -262.978469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.978469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.128903 (E_RNA)
where:
Base-Base interactions energy: -175.248
where: short stacking energy: -78.023
Base-Backbone interact. energy: -0.146
local terms energy: -87.734988
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.150 (S_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: 403
Temperature: 1.200000
Total energy: -240.972470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.972470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.102294 (E_RNA)
where:
Base-Base interactions energy: -155.716
where: short stacking energy: -71.410
Base-Backbone interact. energy: -0.175
local terms energy: -85.210722
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.130 (S_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: 403
Temperature: 1.250000
Total energy: -228.188379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.188379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.300794 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -82.244
Base-Backbone interact. energy: 0.114
local terms energy: -77.709349
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -238.466646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.466646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.549823 (E_RNA)
where:
Base-Base interactions energy: -160.045
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.245
local terms energy: -78.259813
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.083 (S_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: 403
Temperature: 1.350000
Total energy: -227.027829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.027829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.096045 (E_RNA)
where:
Base-Base interactions energy: -144.691
where: short stacking energy: -67.512
Base-Backbone interact. energy: -1.734
local terms energy: -80.671218
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.068 (S_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: 404
Temperature: 0.900000
Total energy: -339.875127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.875127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.976702 (E_RNA)
where:
Base-Base interactions energy: -229.662
where: short stacking energy: -104.725
Base-Backbone interact. energy: 0.127
local terms energy: -110.441596
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -27.472
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. 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: -329.297206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.297206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.307527 (E_RNA)
where:
Base-Base interactions energy: -211.134
where: short stacking energy: -98.152
Base-Backbone interact. energy: -0.034
local terms energy: -119.139183
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -33.964
Dist. restrs. and SS energy: 1.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -316.912741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.912741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.938008 (E_RNA)
where:
Base-Base interactions energy: -214.734
where: short stacking energy: -105.858
Base-Backbone interact. energy: -0.000
local terms energy: -102.203710
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -309.810273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.810273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.860380 (E_RNA)
where:
Base-Base interactions energy: -212.753
where: short stacking energy: -96.736
Base-Backbone interact. energy: -0.196
local terms energy: -96.911630
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -317.498010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.498010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.670658 (E_RNA)
where:
Base-Base interactions energy: -207.257
where: short stacking energy: -97.271
Base-Backbone interact. energy: -0.625
local terms energy: -109.789056
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -31.572
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -265.893197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.893197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.894115 (E_RNA)
where:
Base-Base interactions energy: -164.738
where: short stacking energy: -86.946
Base-Backbone interact. energy: -0.099
local terms energy: -101.057133
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.001 (S_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: 404
Temperature: 1.200000
Total energy: -238.076063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.076063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.206479 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -76.146
Base-Backbone interact. energy: -0.009
local terms energy: -88.350696
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -231.971675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.971675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.973622 (E_RNA)
where:
Base-Base interactions energy: -145.172
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.163
local terms energy: -86.638377
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -225.183771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.183771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.233525 (E_RNA)
where:
Base-Base interactions energy: -145.469
where: short stacking energy: -76.162
Base-Backbone interact. energy: 0.477
local terms energy: -80.241003
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.050 (S_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: 404
Temperature: 1.350000
Total energy: -210.368598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.368598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.368598 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -64.796
Base-Backbone interact. energy: -0.093
local terms energy: -78.021715
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.334
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: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -339.744857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.744857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.898649 (E_RNA)
where:
Base-Base interactions energy: -238.330
where: short stacking energy: -112.452
Base-Backbone interact. energy: -0.051
local terms energy: -101.517507
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -26.001
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -320.078532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.078532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.151754 (E_RNA)
where:
Base-Base interactions energy: -218.126
where: short stacking energy: -98.148
Base-Backbone interact. energy: -0.055
local terms energy: -101.970071
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.073 (S_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: -325.265246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.265246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.505574 (E_RNA)
where:
Base-Base interactions energy: -209.358
where: short stacking energy: -103.350
Base-Backbone interact. energy: -0.007
local terms energy: -116.141113
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -301.483877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.483877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.095931 (E_RNA)
where:
Base-Base interactions energy: -205.573
where: short stacking energy: -96.139
Base-Backbone interact. energy: 0.749
local terms energy: -97.272383
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -26.879
Dist. restrs. and SS energy: 0.612 (S_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: 405
Temperature: 1.100000
Total energy: -302.248754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.248754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.276120 (E_RNA)
where:
Base-Base interactions energy: -194.893
where: short stacking energy: -88.327
Base-Backbone interact. energy: -0.541
local terms energy: -106.842167
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -257.403425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.403425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.454557 (E_RNA)
where:
Base-Base interactions energy: -166.859
where: short stacking energy: -86.830
Base-Backbone interact. energy: -0.103
local terms energy: -90.493287
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.051 (S_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: 405
Temperature: 1.200000
Total energy: -251.904834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.904834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.904834 (E_RNA)
where:
Base-Base interactions energy: -155.613
where: short stacking energy: -75.060
Base-Backbone interact. energy: 0.018
local terms energy: -96.309667
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -18.082
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: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -247.069765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.069765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.171540 (E_RNA)
where:
Base-Base interactions energy: -155.631
where: short stacking energy: -81.757
Base-Backbone interact. energy: -0.188
local terms energy: -91.352549
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -229.857435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.857435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.890660 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.917
local terms energy: -92.051383
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.033 (S_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: 405
Temperature: 1.350000
Total energy: -218.038170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.269902 (E_RNA)
where:
Base-Base interactions energy: -134.762
where: short stacking energy: -63.969
Base-Backbone interact. energy: 0.595
local terms energy: -84.103677
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.232 (S_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: 406
Temperature: 0.900000
Total energy: -336.995855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.995855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.053427 (E_RNA)
where:
Base-Base interactions energy: -231.260
where: short stacking energy: -96.425
Base-Backbone interact. energy: -0.083
local terms energy: -105.710674
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -337.049096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.049096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.114776 (E_RNA)
where:
Base-Base interactions energy: -219.865
where: short stacking energy: -113.488
Base-Backbone interact. energy: -0.096
local terms energy: -117.154265
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -33.200
Dist. restrs. and SS energy: 0.066 (S_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: -310.843654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.843654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.272258 (E_RNA)
where:
Base-Base interactions energy: -220.824
where: short stacking energy: -105.043
Base-Backbone interact. energy: -0.112
local terms energy: -90.336240
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -299.393860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.393860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.270013 (E_RNA)
where:
Base-Base interactions energy: -191.622
where: short stacking energy: -82.451
Base-Backbone interact. energy: -0.204
local terms energy: -108.444469
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.876 (S_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: 406
Temperature: 1.100000
Total energy: -296.725134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.725134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.909076 (E_RNA)
where:
Base-Base interactions energy: -197.849
where: short stacking energy: -95.291
Base-Backbone interact. energy: 0.054
local terms energy: -99.113659
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -28.547
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -251.773931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.773931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.056802 (E_RNA)
where:
Base-Base interactions energy: -154.280
where: short stacking energy: -85.430
Base-Backbone interact. energy: -0.228
local terms energy: -97.548694
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.283 (S_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: 406
Temperature: 1.200000
Total energy: -250.323704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.323704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.457157 (E_RNA)
where:
Base-Base interactions energy: -158.230
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.269
local terms energy: -91.958268
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -244.172961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.172961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.345874 (E_RNA)
where:
Base-Base interactions energy: -147.553
where: short stacking energy: -63.001
Base-Backbone interact. energy: -0.675
local terms energy: -96.117825
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -20.171
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -224.207244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.207244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.567622 (E_RNA)
where:
Base-Base interactions energy: -138.482
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.862
local terms energy: -85.222779
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -212.775859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.775859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.233973 (E_RNA)
where:
Base-Base interactions energy: -132.249
where: short stacking energy: -60.261
Base-Backbone interact. energy: 0.639
local terms energy: -81.623223
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.458 (S_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: 407
Temperature: 0.900000
Total energy: -344.854423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.854423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.914227 (E_RNA)
where:
Base-Base interactions energy: -230.894
where: short stacking energy: -103.743
Base-Backbone interact. energy: -0.107
local terms energy: -113.913529
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -335.759809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.759809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.791607 (E_RNA)
where:
Base-Base interactions energy: -220.931
where: short stacking energy: -104.106
Base-Backbone interact. energy: -0.304
local terms energy: -114.556289
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.032 (S_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: -333.591400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.591400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.646130 (E_RNA)
where:
Base-Base interactions energy: -228.023
where: short stacking energy: -102.699
Base-Backbone interact. energy: -0.012
local terms energy: -105.610692
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -23.527
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -25.132
Dist. restrs. and SS energy: 0.055 (S_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: 407
Temperature: 1.050000
Total energy: -310.503090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.503090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.852576 (E_RNA)
where:
Base-Base interactions energy: -206.188
where: short stacking energy: -96.918
Base-Backbone interact. energy: -0.835
local terms energy: -103.829320
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -27.281
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. 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: -302.815181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.815181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.847897 (E_RNA)
where:
Base-Base interactions energy: -194.468
where: short stacking energy: -87.290
Base-Backbone interact. energy: -0.008
local terms energy: -108.372277
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.033 (S_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: 407
Temperature: 1.150000
Total energy: -246.416524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.416524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.416524 (E_RNA)
where:
Base-Base interactions energy: -150.024
where: short stacking energy: -76.310
Base-Backbone interact. energy: -0.180
local terms energy: -96.212030
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -19.875
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: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -239.516296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.516296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.540234 (E_RNA)
where:
Base-Base interactions energy: -154.933
where: short stacking energy: -67.482
Base-Backbone interact. energy: 1.156
local terms energy: -85.763199
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -242.446111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.446111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.449553 (E_RNA)
where:
Base-Base interactions energy: -156.363
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.170
local terms energy: -85.916526
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -225.321057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.321057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.469345 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -67.627
Base-Backbone interact. energy: 1.052
local terms energy: -85.133245
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -228.575554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.575554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.575554 (E_RNA)
where:
Base-Base interactions energy: -147.135
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.426
local terms energy: -81.014840
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -348.465906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.465906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.541455 (E_RNA)
where:
Base-Base interactions energy: -224.885
where: short stacking energy: -111.376
Base-Backbone interact. energy: -0.065
local terms energy: -123.592244
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -33.329
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -334.915515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.915515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.981834 (E_RNA)
where:
Base-Base interactions energy: -231.322
where: short stacking energy: -100.386
Base-Backbone interact. energy: -0.044
local terms energy: -103.615926
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -28.401
Dist. restrs. and SS energy: 0.066 (S_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: 408
Temperature: 1.000000
Total energy: -310.991561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.991561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.294644 (E_RNA)
where:
Base-Base interactions energy: -216.293
where: short stacking energy: -89.883
Base-Backbone interact. energy: -1.176
local terms energy: -93.825863
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.303 (S_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: 408
Temperature: 1.050000
Total energy: -297.606004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.606004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.869589 (E_RNA)
where:
Base-Base interactions energy: -210.814
where: short stacking energy: -92.482
Base-Backbone interact. energy: -0.087
local terms energy: -86.968370
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. 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: -307.540116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.540116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.577725 (E_RNA)
where:
Base-Base interactions energy: -200.845
where: short stacking energy: -98.030
Base-Backbone interact. energy: -0.014
local terms energy: -106.718519
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -28.185
Dist. restrs. and SS energy: 0.038 (S_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: 408
Temperature: 1.150000
Total energy: -253.860441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.860441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.866434 (E_RNA)
where:
Base-Base interactions energy: -168.628
where: short stacking energy: -89.449
Base-Backbone interact. energy: 1.672
local terms energy: -86.910610
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.006 (S_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: 408
Temperature: 1.200000
Total energy: -242.540878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.540878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.616287 (E_RNA)
where:
Base-Base interactions energy: -154.467
where: short stacking energy: -78.738
Base-Backbone interact. energy: 3.265
local terms energy: -91.414093
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -221.778187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.778187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.180734 (E_RNA)
where:
Base-Base interactions energy: -136.130
where: short stacking energy: -61.147
Base-Backbone interact. energy: -1.360
local terms energy: -84.690478
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -232.461897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.461897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.461897 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -75.258
Base-Backbone interact. energy: -0.347
local terms energy: -75.873977
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.272
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: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -250.695251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.695251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.011600 (E_RNA)
where:
Base-Base interactions energy: -169.854
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.506
local terms energy: -80.651360
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. 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: -346.352852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.352852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.372096 (E_RNA)
where:
Base-Base interactions energy: -232.201
where: short stacking energy: -109.531
Base-Backbone interact. energy: -0.597
local terms energy: -113.574354
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -36.119
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -327.926768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.926768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.053706 (E_RNA)
where:
Base-Base interactions energy: -217.298
where: short stacking energy: -101.992
Base-Backbone interact. energy: -0.006
local terms energy: -110.749170
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.127 (S_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: 409
Temperature: 1.000000
Total energy: -310.044780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.044780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.069766 (E_RNA)
where:
Base-Base interactions energy: -202.258
where: short stacking energy: -95.116
Base-Backbone interact. energy: -0.386
local terms energy: -107.426402
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -308.028636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.028636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.187698 (E_RNA)
where:
Base-Base interactions energy: -204.542
where: short stacking energy: -94.338
Base-Backbone interact. energy: -0.207
local terms energy: -103.438641
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.159 (S_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: 409
Temperature: 1.100000
Total energy: -270.256987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.256987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.320043 (E_RNA)
where:
Base-Base interactions energy: -176.586
where: short stacking energy: -89.676
Base-Backbone interact. energy: -0.264
local terms energy: -93.470034
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.063 (S_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: 409
Temperature: 1.150000
Total energy: -257.177192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.177192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.592405 (E_RNA)
where:
Base-Base interactions energy: -159.282
where: short stacking energy: -80.574
Base-Backbone interact. energy: -0.682
local terms energy: -97.628466
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.415 (S_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: 409
Temperature: 1.200000
Total energy: -273.637712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.637712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.643452 (E_RNA)
where:
Base-Base interactions energy: -178.143
where: short stacking energy: -78.781
Base-Backbone interact. energy: -0.134
local terms energy: -95.366481
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -246.898642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.898642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.014867 (E_RNA)
where:
Base-Base interactions energy: -170.179
where: short stacking energy: -79.505
Base-Backbone interact. energy: -0.408
local terms energy: -76.427524
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -216.242040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.242040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.320103 (E_RNA)
where:
Base-Base interactions energy: -133.482
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.012
local terms energy: -82.826193
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -241.425111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.425111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.493105 (E_RNA)
where:
Base-Base interactions energy: -161.898
where: short stacking energy: -78.813
Base-Backbone interact. energy: -0.499
local terms energy: -79.095207
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -24.114
Dist. restrs. and SS energy: 0.068 (S_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: 410
Temperature: 0.900000
Total energy: -339.856831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.856831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.856831 (E_RNA)
where:
Base-Base interactions energy: -234.707
where: short stacking energy: -104.468
Base-Backbone interact. energy: -0.315
local terms energy: -104.834883
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -337.799399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.799399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.813061 (E_RNA)
where:
Base-Base interactions energy: -227.587
where: short stacking energy: -107.873
Base-Backbone interact. energy: -0.125
local terms energy: -110.101070
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -318.249099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.249099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.292961 (E_RNA)
where:
Base-Base interactions energy: -211.205
where: short stacking energy: -90.541
Base-Backbone interact. energy: 0.284
local terms energy: -107.372458
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.044 (S_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: 410
Temperature: 1.050000
Total energy: -320.490345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.490345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.653827 (E_RNA)
where:
Base-Base interactions energy: -225.972
where: short stacking energy: -97.921
Base-Backbone interact. energy: -0.202
local terms energy: -94.479622
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -24.402
Dist. restrs. and SS energy: 0.163 (S_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: 410
Temperature: 1.100000
Total energy: -264.767580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.767580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.181690 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -76.168
Base-Backbone interact. energy: -0.188
local terms energy: -85.390201
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -249.146477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.146477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.351925 (E_RNA)
where:
Base-Base interactions energy: -148.595
where: short stacking energy: -72.152
Base-Backbone interact. energy: 0.826
local terms energy: -101.583480
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -239.180956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.180956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.180956 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -68.898
Base-Backbone interact. energy: 0.131
local terms energy: -86.470565
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -20.444
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: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -247.980925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.980925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.987179 (E_RNA)
where:
Base-Base interactions energy: -159.256
where: short stacking energy: -81.995
Base-Backbone interact. energy: -0.077
local terms energy: -88.653996
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -24.873
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -217.924245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.924245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.146757 (E_RNA)
where:
Base-Base interactions energy: -140.262
where: short stacking energy: -64.028
Base-Backbone interact. energy: -0.367
local terms energy: -77.517790
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. 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: -218.271214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.271214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.271214 (E_RNA)
where:
Base-Base interactions energy: -139.750
where: short stacking energy: -57.815
Base-Backbone interact. energy: 0.058
local terms energy: -78.578571
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -337.899705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.899705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.899705 (E_RNA)
where:
Base-Base interactions energy: -228.508
where: short stacking energy: -114.739
Base-Backbone interact. energy: -0.005
local terms energy: -109.386993
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -32.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -319.240669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.240669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.326442 (E_RNA)
where:
Base-Base interactions energy: -210.731
where: short stacking energy: -96.256
Base-Backbone interact. energy: -0.116
local terms energy: -108.479628
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -319.471520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.471520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.484119 (E_RNA)
where:
Base-Base interactions energy: -220.090
where: short stacking energy: -103.162
Base-Backbone interact. energy: -0.693
local terms energy: -98.700832
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -29.092
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -272.986775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.986775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.266806 (E_RNA)
where:
Base-Base interactions energy: -171.111
where: short stacking energy: -78.279
Base-Backbone interact. energy: -1.023
local terms energy: -101.132609
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.280 (S_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: 411
Temperature: 1.100000
Total energy: -306.541155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.541155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.814009 (E_RNA)
where:
Base-Base interactions energy: -197.046
where: short stacking energy: -94.538
Base-Backbone interact. energy: -0.194
local terms energy: -109.573372
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -28.204
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -265.813232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.813232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.944794 (E_RNA)
where:
Base-Base interactions energy: -169.994
where: short stacking energy: -90.093
Base-Backbone interact. energy: -0.200
local terms energy: -95.751492
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -260.539374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.539374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.602107 (E_RNA)
where:
Base-Base interactions energy: -160.038
where: short stacking energy: -85.422
Base-Backbone interact. energy: -0.187
local terms energy: -100.377092
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -230.655091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.655091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.676388 (E_RNA)
where:
Base-Base interactions energy: -142.623
where: short stacking energy: -72.064
Base-Backbone interact. energy: 1.211
local terms energy: -89.264605
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -230.907301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.907301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.940642 (E_RNA)
where:
Base-Base interactions energy: -147.377
where: short stacking energy: -68.005
Base-Backbone interact. energy: -0.094
local terms energy: -83.469409
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -221.753983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.753983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.864884 (E_RNA)
where:
Base-Base interactions energy: -130.569
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.677
local terms energy: -90.618722
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.111 (S_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: 412
Temperature: 0.900000
Total energy: -342.525231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.525231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.531347 (E_RNA)
where:
Base-Base interactions energy: -226.254
where: short stacking energy: -109.684
Base-Backbone interact. energy: -0.079
local terms energy: -116.198259
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -339.757601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.757601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.757625 (E_RNA)
where:
Base-Base interactions energy: -240.039
where: short stacking energy: -100.225
Base-Backbone interact. energy: 0.313
local terms energy: -100.031440
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -24.681
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: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -329.923306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.923306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.923306 (E_RNA)
where:
Base-Base interactions energy: -219.686
where: short stacking energy: -101.219
Base-Backbone interact. energy: -0.656
local terms energy: -109.581927
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -27.993
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: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -273.384300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.384300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.522939 (E_RNA)
where:
Base-Base interactions energy: -174.501
where: short stacking energy: -92.250
Base-Backbone interact. energy: 1.934
local terms energy: -100.955982
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -272.537704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.537704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.542471 (E_RNA)
where:
Base-Base interactions energy: -182.235
where: short stacking energy: -80.016
Base-Backbone interact. energy: 1.097
local terms energy: -91.404333
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -261.449440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.449440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.479278 (E_RNA)
where:
Base-Base interactions energy: -163.207
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.095
local terms energy: -98.177351
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -251.001521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.001521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.130409 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -78.950
Base-Backbone interact. energy: -0.203
local terms energy: -96.390510
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -227.594604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.594604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.901838 (E_RNA)
where:
Base-Base interactions energy: -141.484
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.691
local terms energy: -85.727097
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.307 (S_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: 412
Temperature: 1.300000
Total energy: -231.321994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.321994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.445016 (E_RNA)
where:
Base-Base interactions energy: -142.259
where: short stacking energy: -67.965
Base-Backbone interact. energy: 1.024
local terms energy: -90.209961
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. 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: -228.183891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.183891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.433763 (E_RNA)
where:
Base-Base interactions energy: -141.979
where: short stacking energy: -71.140
Base-Backbone interact. energy: -0.529
local terms energy: -85.925373
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.250 (S_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: 413
Temperature: 0.900000
Total energy: -341.481063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.481063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.515193 (E_RNA)
where:
Base-Base interactions energy: -227.344
where: short stacking energy: -105.681
Base-Backbone interact. energy: 0.388
local terms energy: -114.558904
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -26.878
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -324.211731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.211731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.211940 (E_RNA)
where:
Base-Base interactions energy: -214.143
where: short stacking energy: -103.874
Base-Backbone interact. energy: -0.347
local terms energy: -109.721427
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -26.965
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: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -320.482764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.482764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.531974 (E_RNA)
where:
Base-Base interactions energy: -217.065
where: short stacking energy: -95.727
Base-Backbone interact. energy: -0.101
local terms energy: -103.365803
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -23.438
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -295.129780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.129780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.259279 (E_RNA)
where:
Base-Base interactions energy: -196.894
where: short stacking energy: -97.168
Base-Backbone interact. energy: -0.225
local terms energy: -98.140538
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.129 (S_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: 413
Temperature: 1.100000
Total energy: -260.282764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.282764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.311884 (E_RNA)
where:
Base-Base interactions energy: -154.605
where: short stacking energy: -81.798
Base-Backbone interact. energy: 0.688
local terms energy: -106.394809
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -255.898906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.898906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.031923 (E_RNA)
where:
Base-Base interactions energy: -167.883
where: short stacking energy: -90.628
Base-Backbone interact. energy: -0.135
local terms energy: -88.014115
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -241.823450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.823450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.877385 (E_RNA)
where:
Base-Base interactions energy: -160.164
where: short stacking energy: -83.087
Base-Backbone interact. energy: -0.112
local terms energy: -81.601220
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.054 (S_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: 413
Temperature: 1.250000
Total energy: -244.400802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.400802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.617558 (E_RNA)
where:
Base-Base interactions energy: -166.966
where: short stacking energy: -88.094
Base-Backbone interact. energy: -0.176
local terms energy: -77.475880
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -250.829424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.829424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.907627 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -81.908
Base-Backbone interact. energy: -1.264
local terms energy: -90.483316
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -23.723
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. 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: -235.652370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.652370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.714548 (E_RNA)
where:
Base-Base interactions energy: -161.254
where: short stacking energy: -80.500
Base-Backbone interact. energy: 0.096
local terms energy: -74.555896
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.062 (S_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: 414
Temperature: 0.900000
Total energy: -341.336883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.336883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.626171 (E_RNA)
where:
Base-Base interactions energy: -231.985
where: short stacking energy: -113.086
Base-Backbone interact. energy: -0.315
local terms energy: -109.325588
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -28.767
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -317.319042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.319042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.924303 (E_RNA)
where:
Base-Base interactions energy: -215.236
where: short stacking energy: -84.131
Base-Backbone interact. energy: -0.214
local terms energy: -102.474932
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -307.266583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.266583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.349486 (E_RNA)
where:
Base-Base interactions energy: -200.702
where: short stacking energy: -102.860
Base-Backbone interact. energy: -0.246
local terms energy: -106.401243
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -30.757
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -301.967153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.967153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.217049 (E_RNA)
where:
Base-Base interactions energy: -202.409
where: short stacking energy: -91.402
Base-Backbone interact. energy: -0.016
local terms energy: -99.792727
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -247.832401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.832401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.913656 (E_RNA)
where:
Base-Base interactions energy: -153.191
where: short stacking energy: -84.247
Base-Backbone interact. energy: -0.109
local terms energy: -94.613401
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.081 (S_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: 414
Temperature: 1.150000
Total energy: -243.310401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.310401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.402059 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -81.185
Base-Backbone interact. energy: -0.125
local terms energy: -92.206902
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.092 (S_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: 414
Temperature: 1.200000
Total energy: -269.952771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.952771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.972647 (E_RNA)
where:
Base-Base interactions energy: -175.054
where: short stacking energy: -94.051
Base-Backbone interact. energy: -0.085
local terms energy: -94.832816
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -228.206935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.206935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.472092 (E_RNA)
where:
Base-Base interactions energy: -148.009
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.280
local terms energy: -80.182903
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -230.137646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.137646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.276157 (E_RNA)
where:
Base-Base interactions energy: -148.912
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.164
local terms energy: -81.200164
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -209.058412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058412 (E_RNA)
where:
Base-Base interactions energy: -128.255
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.507
local terms energy: -80.296913
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -334.234218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.234218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.236971 (E_RNA)
where:
Base-Base interactions energy: -227.474
where: short stacking energy: -100.251
Base-Backbone interact. energy: -0.297
local terms energy: -106.466495
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -326.924269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.924269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.032862 (E_RNA)
where:
Base-Base interactions energy: -217.799
where: short stacking energy: -102.958
Base-Backbone interact. energy: 0.071
local terms energy: -109.304397
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -26.008
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -302.491738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.491738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.620961 (E_RNA)
where:
Base-Base interactions energy: -196.916
where: short stacking energy: -91.537
Base-Backbone interact. energy: -0.409
local terms energy: -105.295839
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -29.537
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -250.893265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.893265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.925949 (E_RNA)
where:
Base-Base interactions energy: -157.753
where: short stacking energy: -81.269
Base-Backbone interact. energy: -0.172
local terms energy: -93.000896
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -278.275987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.275987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.614718 (E_RNA)
where:
Base-Base interactions energy: -185.907
where: short stacking energy: -82.521
Base-Backbone interact. energy: -0.237
local terms energy: -92.471372
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.339 (S_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: 415
Temperature: 1.150000
Total energy: -262.236149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.236149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.236149 (E_RNA)
where:
Base-Base interactions energy: -169.163
where: short stacking energy: -86.630
Base-Backbone interact. energy: 0.498
local terms energy: -93.570812
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -250.015776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.015776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.019931 (E_RNA)
where:
Base-Base interactions energy: -154.699
where: short stacking energy: -80.362
Base-Backbone interact. energy: -0.026
local terms energy: -95.294854
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -255.358440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.358440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.738324 (E_RNA)
where:
Base-Base interactions energy: -166.339
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.145
local terms energy: -89.254432
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -231.802904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.802904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.826284 (E_RNA)
where:
Base-Base interactions energy: -143.563
where: short stacking energy: -66.737
Base-Backbone interact. energy: -0.314
local terms energy: -87.949201
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -210.542254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.542254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.812948 (E_RNA)
where:
Base-Base interactions energy: -137.066
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.291
local terms energy: -73.455534
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -341.535706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.535706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.201159 (E_RNA)
where:
Base-Base interactions energy: -234.294
where: short stacking energy: -111.400
Base-Backbone interact. energy: -0.053
local terms energy: -107.854436
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -26.974
Dist. restrs. and SS energy: 0.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -321.830206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.830206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.880866 (E_RNA)
where:
Base-Base interactions energy: -210.663
where: short stacking energy: -101.458
Base-Backbone interact. energy: -0.478
local terms energy: -110.740427
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -28.836
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -288.669313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.669313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.378267 (E_RNA)
where:
Base-Base interactions energy: -178.864
where: short stacking energy: -94.126
Base-Backbone interact. energy: -0.051
local terms energy: -110.463081
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -30.480
Dist. restrs. and SS energy: 0.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -269.592663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.592663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.706422 (E_RNA)
where:
Base-Base interactions energy: -171.449
where: short stacking energy: -93.551
Base-Backbone interact. energy: -0.214
local terms energy: -98.043898
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -307.488390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.488390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.540332 (E_RNA)
where:
Base-Base interactions energy: -211.831
where: short stacking energy: -88.802
Base-Backbone interact. energy: -0.215
local terms energy: -95.494017
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.052 (S_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: 416
Temperature: 1.150000
Total energy: -258.411669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.411669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.422865 (E_RNA)
where:
Base-Base interactions energy: -165.408
where: short stacking energy: -76.718
Base-Backbone interact. energy: -0.126
local terms energy: -92.888382
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.011 (S_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: 416
Temperature: 1.200000
Total energy: -244.320885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.320885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.320885 (E_RNA)
where:
Base-Base interactions energy: -145.010
where: short stacking energy: -74.354
Base-Backbone interact. energy: -0.128
local terms energy: -99.182413
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -20.801
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: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -233.913942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.913942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.924913 (E_RNA)
where:
Base-Base interactions energy: -155.307
where: short stacking energy: -79.292
Base-Backbone interact. energy: 0.031
local terms energy: -78.649313
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -236.878661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.878661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.053833 (E_RNA)
where:
Base-Base interactions energy: -147.677
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.110
local terms energy: -89.267048
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. 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: -218.926870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.926870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.950635 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.252
local terms energy: -84.151464
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -342.673893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.673893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.673893 (E_RNA)
where:
Base-Base interactions energy: -236.675
where: short stacking energy: -111.374
Base-Backbone interact. energy: -0.109
local terms energy: -105.889827
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -28.643
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: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -334.683438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.683438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.711407 (E_RNA)
where:
Base-Base interactions energy: -229.634
where: short stacking energy: -100.784
Base-Backbone interact. energy: -0.488
local terms energy: -104.589518
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -29.128
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. 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: -290.886240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.886240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.886240 (E_RNA)
where:
Base-Base interactions energy: -194.541
where: short stacking energy: -96.726
Base-Backbone interact. energy: -0.152
local terms energy: -96.192672
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -319.483613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.483613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.633885 (E_RNA)
where:
Base-Base interactions energy: -212.015
where: short stacking energy: -93.279
Base-Backbone interact. energy: -0.030
local terms energy: -107.589717
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -268.100717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.100717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.288854 (E_RNA)
where:
Base-Base interactions energy: -172.342
where: short stacking energy: -93.479
Base-Backbone interact. energy: -0.331
local terms energy: -95.615410
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -24.215
Dist. restrs. and SS energy: 0.188 (S_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: 417
Temperature: 1.150000
Total energy: -263.366578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.366578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.366578 (E_RNA)
where:
Base-Base interactions energy: -166.196
where: short stacking energy: -81.580
Base-Backbone interact. energy: -0.191
local terms energy: -96.979527
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -19.381
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: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -262.810654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.810654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.943197 (E_RNA)
where:
Base-Base interactions energy: -172.468
where: short stacking energy: -80.049
Base-Backbone interact. energy: -0.080
local terms energy: -90.395140
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -232.473797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.473797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.492392 (E_RNA)
where:
Base-Base interactions energy: -145.400
where: short stacking energy: -72.355
Base-Backbone interact. energy: 1.154
local terms energy: -88.246043
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -225.539529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.539529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.564828 (E_RNA)
where:
Base-Base interactions energy: -134.873
where: short stacking energy: -54.960
Base-Backbone interact. energy: -0.130
local terms energy: -90.562473
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. 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: -233.120417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.120417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.277864 (E_RNA)
where:
Base-Base interactions energy: -136.628
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.119
local terms energy: -96.530226
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.157 (S_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: 418
Temperature: 0.900000
Total energy: -354.958670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.958670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.958670 (E_RNA)
where:
Base-Base interactions energy: -243.598
where: short stacking energy: -99.110
Base-Backbone interact. energy: -0.194
local terms energy: -111.166542
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -335.034716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.034716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.211034 (E_RNA)
where:
Base-Base interactions energy: -230.045
where: short stacking energy: -105.378
Base-Backbone interact. energy: -0.203
local terms energy: -104.963393
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 0.176 (S_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: 418
Temperature: 1.000000
Total energy: -326.103769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.103769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.534614 (E_RNA)
where:
Base-Base interactions energy: -214.529
where: short stacking energy: -97.747
Base-Backbone interact. energy: -0.050
local terms energy: -111.955708
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -288.520589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.520589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.520589 (E_RNA)
where:
Base-Base interactions energy: -182.699
where: short stacking energy: -97.682
Base-Backbone interact. energy: -0.031
local terms energy: -105.790459
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -15.542
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: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -258.294853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.294853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.397565 (E_RNA)
where:
Base-Base interactions energy: -169.017
where: short stacking energy: -76.302
Base-Backbone interact. energy: -0.160
local terms energy: -89.221108
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -256.288804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.288804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.346567 (E_RNA)
where:
Base-Base interactions energy: -163.873
where: short stacking energy: -83.258
Base-Backbone interact. energy: -0.192
local terms energy: -92.281440
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.058 (S_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: -255.699676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.699676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.894176 (E_RNA)
where:
Base-Base interactions energy: -168.812
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.254
local terms energy: -86.827361
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -235.074707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.074707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.120374 (E_RNA)
where:
Base-Base interactions energy: -148.249
where: short stacking energy: -80.228
Base-Backbone interact. energy: -0.213
local terms energy: -86.658399
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -221.255893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.255893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.345341 (E_RNA)
where:
Base-Base interactions energy: -138.879
where: short stacking energy: -70.992
Base-Backbone interact. energy: -1.696
local terms energy: -80.770987
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -211.054340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.054340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.849032 (E_RNA)
where:
Base-Base interactions energy: -122.969
where: short stacking energy: -53.863
Base-Backbone interact. energy: -1.767
local terms energy: -87.113332
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.795 (S_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: 419
Temperature: 0.900000
Total energy: -345.559376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.559376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.603178 (E_RNA)
where:
Base-Base interactions energy: -239.283
where: short stacking energy: -105.402
Base-Backbone interact. energy: -0.161
local terms energy: -106.159122
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -29.540
Dist. restrs. and SS energy: 0.044 (S_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: 419
Temperature: 0.950000
Total energy: -327.819312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.819312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.819312 (E_RNA)
where:
Base-Base interactions energy: -220.974
where: short stacking energy: -104.815
Base-Backbone interact. energy: -0.053
local terms energy: -106.791925
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -336.146165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.146165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.394080 (E_RNA)
where:
Base-Base interactions energy: -225.184
where: short stacking energy: -98.761
Base-Backbone interact. energy: -0.160
local terms energy: -111.050216
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -275.852474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.852474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.083430 (E_RNA)
where:
Base-Base interactions energy: -176.067
where: short stacking energy: -88.422
Base-Backbone interact. energy: -0.268
local terms energy: -99.747966
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -277.998217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.998217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.998217 (E_RNA)
where:
Base-Base interactions energy: -188.413
where: short stacking energy: -86.551
Base-Backbone interact. energy: 2.106
local terms energy: -91.691613
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -272.015831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.015831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.044933 (E_RNA)
where:
Base-Base interactions energy: -170.116
where: short stacking energy: -78.780
Base-Backbone interact. energy: -0.147
local terms energy: -101.781558
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -256.640602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.640602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.673009 (E_RNA)
where:
Base-Base interactions energy: -162.319
where: short stacking energy: -98.854
Base-Backbone interact. energy: -0.438
local terms energy: -93.916088
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -232.862975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.862975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.529677 (E_RNA)
where:
Base-Base interactions energy: -157.443
where: short stacking energy: -70.325
Base-Backbone interact. energy: 0.500
local terms energy: -76.586083
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -227.554954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.554954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.618699 (E_RNA)
where:
Base-Base interactions energy: -146.999
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.604
local terms energy: -80.016035
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -225.836933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.836933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.049026 (E_RNA)
where:
Base-Base interactions energy: -145.873
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.107
local terms energy: -80.069264
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.212 (S_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: 420
Temperature: 0.900000
Total energy: -335.775734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.775734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.161142 (E_RNA)
where:
Base-Base interactions energy: -225.394
where: short stacking energy: -100.719
Base-Backbone interact. energy: 0.318
local terms energy: -111.084228
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -30.595
Dist. restrs. and SS energy: 0.385 (S_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: 420
Temperature: 0.950000
Total energy: -329.694650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.694650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.706977 (E_RNA)
where:
Base-Base interactions energy: -213.904
where: short stacking energy: -100.509
Base-Backbone interact. energy: -0.022
local terms energy: -115.780097
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -334.242336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.242336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.261576 (E_RNA)
where:
Base-Base interactions energy: -220.714
where: short stacking energy: -109.375
Base-Backbone interact. energy: -0.734
local terms energy: -112.814360
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -32.461
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -273.233049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.233049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.369465 (E_RNA)
where:
Base-Base interactions energy: -170.559
where: short stacking energy: -76.152
Base-Backbone interact. energy: 0.303
local terms energy: -103.113954
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.136 (S_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: 420
Temperature: 1.100000
Total energy: -282.233067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.233067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.388017 (E_RNA)
where:
Base-Base interactions energy: -185.499
where: short stacking energy: -78.740
Base-Backbone interact. energy: 0.598
local terms energy: -97.486878
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -265.172237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.172237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.225288 (E_RNA)
where:
Base-Base interactions energy: -164.796
where: short stacking energy: -86.848
Base-Backbone interact. energy: -0.589
local terms energy: -99.840748
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -245.817645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.817645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.817645 (E_RNA)
where:
Base-Base interactions energy: -153.274
where: short stacking energy: -76.197
Base-Backbone interact. energy: 0.847
local terms energy: -93.390457
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -235.433611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.433611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.449284 (E_RNA)
where:
Base-Base interactions energy: -149.089
where: short stacking energy: -65.870
Base-Backbone interact. energy: -0.085
local terms energy: -86.274761
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -218.001232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.001232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185460 (E_RNA)
where:
Base-Base interactions energy: -142.129
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.311
local terms energy: -75.745380
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -220.468170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.468170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.564695 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.209
local terms energy: -86.094930
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.097 (S_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: 421
Temperature: 0.900000
Total energy: -336.225424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.225424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.259201 (E_RNA)
where:
Base-Base interactions energy: -225.050
where: short stacking energy: -94.162
Base-Backbone interact. energy: -0.091
local terms energy: -111.117749
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.034 (S_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: 421
Temperature: 0.950000
Total energy: -331.895758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.895758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.895758 (E_RNA)
where:
Base-Base interactions energy: -221.953
where: short stacking energy: -98.076
Base-Backbone interact. energy: -0.718
local terms energy: -109.225151
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -320.889098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.889098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.022689 (E_RNA)
where:
Base-Base interactions energy: -208.989
where: short stacking energy: -100.536
Base-Backbone interact. energy: -0.138
local terms energy: -111.895918
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -32.520
Dist. restrs. and SS energy: 0.134 (S_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: 421
Temperature: 1.050000
Total energy: -279.011377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.011377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.643218 (E_RNA)
where:
Base-Base interactions energy: -177.907
where: short stacking energy: -86.978
Base-Backbone interact. energy: -0.459
local terms energy: -101.277367
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.632 (S_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: 421
Temperature: 1.100000
Total energy: -268.770949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.770949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.905321 (E_RNA)
where:
Base-Base interactions energy: -168.322
where: short stacking energy: -81.418
Base-Backbone interact. energy: -0.291
local terms energy: -100.292682
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -256.842584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.842584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.979433 (E_RNA)
where:
Base-Base interactions energy: -163.422
where: short stacking energy: -84.830
Base-Backbone interact. energy: -0.127
local terms energy: -93.430617
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.137 (S_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: 421
Temperature: 1.200000
Total energy: -262.511887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.511887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.530910 (E_RNA)
where:
Base-Base interactions energy: -168.780
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.092
local terms energy: -93.658284
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -232.971217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.971217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.063067 (E_RNA)
where:
Base-Base interactions energy: -153.552
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.095
local terms energy: -79.416392
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -227.605991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.605991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.614276 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -79.056
Base-Backbone interact. energy: 0.689
local terms energy: -78.132022
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -218.437003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.437003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.468651 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.293
local terms energy: -67.981159
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.032 (S_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: 422
Temperature: 0.900000
Total energy: -339.511092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.511092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.520598 (E_RNA)
where:
Base-Base interactions energy: -231.385
where: short stacking energy: -102.771
Base-Backbone interact. energy: -0.112
local terms energy: -108.023455
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -29.270
Dist. restrs. and SS energy: 0.010 (S_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: 422
Temperature: 0.950000
Total energy: -320.617508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.617508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.639874 (E_RNA)
where:
Base-Base interactions energy: -205.609
where: short stacking energy: -96.999
Base-Backbone interact. energy: -0.111
local terms energy: -114.920174
where:
bonds (distance) C4'-P energy: -25.424
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -26.214
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -316.403160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.403160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.456367 (E_RNA)
where:
Base-Base interactions energy: -211.057
where: short stacking energy: -93.063
Base-Backbone interact. energy: -0.133
local terms energy: -105.265757
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.053 (S_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: 422
Temperature: 1.050000
Total energy: -279.884609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.884609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.951754 (E_RNA)
where:
Base-Base interactions energy: -177.244
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.371
local terms energy: -103.336997
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -256.172559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.172559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.409770 (E_RNA)
where:
Base-Base interactions energy: -153.606
where: short stacking energy: -86.008
Base-Backbone interact. energy: 0.582
local terms energy: -103.385936
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.237 (S_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: 422
Temperature: 1.150000
Total energy: -265.055848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.055848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.158985 (E_RNA)
where:
Base-Base interactions energy: -171.616
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.496
local terms energy: -93.046729
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -251.132463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.132463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.134041 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.953
local terms energy: -103.347550
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.002 (S_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: 422
Temperature: 1.250000
Total energy: -257.376501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.376501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.697894 (E_RNA)
where:
Base-Base interactions energy: -164.866
where: short stacking energy: -76.499
Base-Backbone interact. energy: 0.032
local terms energy: -92.863440
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -234.808869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.808869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.812003 (E_RNA)
where:
Base-Base interactions energy: -143.573
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.165
local terms energy: -91.074737
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -222.505379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.505379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.584222 (E_RNA)
where:
Base-Base interactions energy: -143.827
where: short stacking energy: -72.528
Base-Backbone interact. energy: -0.869
local terms energy: -77.887873
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.079 (S_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: 423
Temperature: 0.900000
Total energy: -335.044520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.044520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.214506 (E_RNA)
where:
Base-Base interactions energy: -228.461
where: short stacking energy: -98.031
Base-Backbone interact. energy: -0.210
local terms energy: -106.543372
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -23.793
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -328.336706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.336706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.336706 (E_RNA)
where:
Base-Base interactions energy: -220.433
where: short stacking energy: -103.968
Base-Backbone interact. energy: -0.119
local terms energy: -107.785349
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -309.933720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.933720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.378606 (E_RNA)
where:
Base-Base interactions energy: -211.682
where: short stacking energy: -98.775
Base-Backbone interact. energy: -0.181
local terms energy: -98.515379
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.445 (S_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: 423
Temperature: 1.050000
Total energy: -300.059606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.059606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.079826 (E_RNA)
where:
Base-Base interactions energy: -200.159
where: short stacking energy: -95.894
Base-Backbone interact. energy: -0.018
local terms energy: -99.903647
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -255.130754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.130754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.130754 (E_RNA)
where:
Base-Base interactions energy: -153.684
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.693
local terms energy: -100.754052
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -259.822701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.822701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.994334 (E_RNA)
where:
Base-Base interactions energy: -166.559
where: short stacking energy: -82.671
Base-Backbone interact. energy: -0.405
local terms energy: -93.030570
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.172 (S_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: 423
Temperature: 1.200000
Total energy: -250.051465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.051465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.193283 (E_RNA)
where:
Base-Base interactions energy: -162.527
where: short stacking energy: -79.210
Base-Backbone interact. energy: -0.023
local terms energy: -87.643267
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -241.809454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.809454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.886998 (E_RNA)
where:
Base-Base interactions energy: -153.884
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.104
local terms energy: -87.899900
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.078 (S_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: 423
Temperature: 1.300000
Total energy: -223.266638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.266638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.352031 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.074
local terms energy: -84.771360
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -16.714
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -219.393335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.393335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.672106 (E_RNA)
where:
Base-Base interactions energy: -137.839
where: short stacking energy: -68.697
Base-Backbone interact. energy: 2.622
local terms energy: -84.455256
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.279 (S_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: 424
Temperature: 0.900000
Total energy: -337.486419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.486419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.486419 (E_RNA)
where:
Base-Base interactions energy: -227.477
where: short stacking energy: -102.644
Base-Backbone interact. energy: -0.420
local terms energy: -109.589005
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -30.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -329.384619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.384619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.415998 (E_RNA)
where:
Base-Base interactions energy: -217.243
where: short stacking energy: -110.189
Base-Backbone interact. energy: -0.005
local terms energy: -112.168016
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -295.454128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.454128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.504956 (E_RNA)
where:
Base-Base interactions energy: -188.954
where: short stacking energy: -83.714
Base-Backbone interact. energy: -0.196
local terms energy: -106.355221
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.051 (S_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: 424
Temperature: 1.050000
Total energy: -296.279727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.279727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.360877 (E_RNA)
where:
Base-Base interactions energy: -200.127
where: short stacking energy: -98.095
Base-Backbone interact. energy: -0.279
local terms energy: -95.955094
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -263.564096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.564096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.744960 (E_RNA)
where:
Base-Base interactions energy: -165.722
where: short stacking energy: -87.075
Base-Backbone interact. energy: -0.561
local terms energy: -97.461644
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -26.800
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -259.812046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.812046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.812046 (E_RNA)
where:
Base-Base interactions energy: -160.999
where: short stacking energy: -75.932
Base-Backbone interact. energy: 0.032
local terms energy: -98.844942
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -24.876
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -240.868582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.868582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.035308 (E_RNA)
where:
Base-Base interactions energy: -144.140
where: short stacking energy: -67.152
Base-Backbone interact. energy: -0.153
local terms energy: -96.742097
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.167 (S_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: 424
Temperature: 1.250000
Total energy: -235.993965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.993965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.146070 (E_RNA)
where:
Base-Base interactions energy: -149.166
where: short stacking energy: -75.712
Base-Backbone interact. energy: 0.086
local terms energy: -87.066504
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -232.496769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.496769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.526115 (E_RNA)
where:
Base-Base interactions energy: -153.861
where: short stacking energy: -75.356
Base-Backbone interact. energy: -0.792
local terms energy: -77.872817
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -8.418
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.029 (S_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: 424
Temperature: 1.350000
Total energy: -234.956458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.956458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.017064 (E_RNA)
where:
Base-Base interactions energy: -154.024
where: short stacking energy: -67.202
Base-Backbone interact. energy: 0.420
local terms energy: -81.413033
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.061 (S_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: 425
Temperature: 0.900000
Total energy: -344.645382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.645382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.645382 (E_RNA)
where:
Base-Base interactions energy: -227.899
where: short stacking energy: -104.806
Base-Backbone interact. energy: -0.076
local terms energy: -116.670577
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -320.184713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.184713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.213721 (E_RNA)
where:
Base-Base interactions energy: -209.226
where: short stacking energy: -107.000
Base-Backbone interact. energy: -0.011
local terms energy: -110.977452
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -25.619
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -31.158
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -320.724950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.724950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.772709 (E_RNA)
where:
Base-Base interactions energy: -223.748
where: short stacking energy: -94.603
Base-Backbone interact. energy: -0.013
local terms energy: -97.012063
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: 0.048 (S_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: 425
Temperature: 1.050000
Total energy: -303.077634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.077634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.138778 (E_RNA)
where:
Base-Base interactions energy: -203.199
where: short stacking energy: -87.718
Base-Backbone interact. energy: -0.240
local terms energy: -99.699782
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -253.760757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.760757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.774940 (E_RNA)
where:
Base-Base interactions energy: -156.885
where: short stacking energy: -82.901
Base-Backbone interact. energy: -0.036
local terms energy: -96.854027
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.014 (S_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: 425
Temperature: 1.150000
Total energy: -240.567679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.771227 (E_RNA)
where:
Base-Base interactions energy: -147.837
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.384
local terms energy: -92.549987
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -264.932337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.932337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.029270 (E_RNA)
where:
Base-Base interactions energy: -162.474
where: short stacking energy: -82.961
Base-Backbone interact. energy: -0.352
local terms energy: -102.203835
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.097 (S_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: 425
Temperature: 1.250000
Total energy: -234.438231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.438231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.454393 (E_RNA)
where:
Base-Base interactions energy: -151.796
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.464
local terms energy: -82.193925
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -216.996101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.996101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.997473 (E_RNA)
where:
Base-Base interactions energy: -130.927
where: short stacking energy: -64.973
Base-Backbone interact. energy: 0.380
local terms energy: -86.450247
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.001 (S_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: 425
Temperature: 1.350000
Total energy: -226.818857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.818857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.901670 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -69.627
Base-Backbone interact. energy: 0.549
local terms energy: -97.564859
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.083 (S_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: 426
Temperature: 0.900000
Total energy: -344.953244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.953244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.961060 (E_RNA)
where:
Base-Base interactions energy: -231.104
where: short stacking energy: -100.394
Base-Backbone interact. energy: 0.690
local terms energy: -114.547336
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -317.526794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.526794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.620609 (E_RNA)
where:
Base-Base interactions energy: -206.746
where: short stacking energy: -99.667
Base-Backbone interact. energy: -0.148
local terms energy: -110.726874
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.094 (S_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: 426
Temperature: 1.000000
Total energy: -321.827146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.827146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.827146 (E_RNA)
where:
Base-Base interactions energy: -218.268
where: short stacking energy: -103.667
Base-Backbone interact. energy: -0.260
local terms energy: -103.299534
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -318.860676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.860676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.894342 (E_RNA)
where:
Base-Base interactions energy: -212.682
where: short stacking energy: -93.085
Base-Backbone interact. energy: -0.140
local terms energy: -106.072104
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -273.045155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.045155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.126990 (E_RNA)
where:
Base-Base interactions energy: -173.202
where: short stacking energy: -85.664
Base-Backbone interact. energy: 1.160
local terms energy: -101.085608
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.082 (S_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: 426
Temperature: 1.150000
Total energy: -248.795636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.795636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.076454 (E_RNA)
where:
Base-Base interactions energy: -156.932
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.324
local terms energy: -91.820085
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -251.617269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.617269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.631732 (E_RNA)
where:
Base-Base interactions energy: -163.136
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.089
local terms energy: -88.407010
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.014 (S_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: 426
Temperature: 1.250000
Total energy: -242.038745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.038745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.171900 (E_RNA)
where:
Base-Base interactions energy: -159.720
where: short stacking energy: -89.448
Base-Backbone interact. energy: -0.229
local terms energy: -82.222115
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.133 (S_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: 426
Temperature: 1.300000
Total energy: -230.007200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.007200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.109299 (E_RNA)
where:
Base-Base interactions energy: -148.080
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.155
local terms energy: -81.873924
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -210.208086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.208086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.084928 (E_RNA)
where:
Base-Base interactions energy: -120.707
where: short stacking energy: -64.587
Base-Backbone interact. energy: 0.250
local terms energy: -90.627577
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.877 (S_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: 427
Temperature: 0.900000
Total energy: -334.433841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.433841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.433841 (E_RNA)
where:
Base-Base interactions energy: -225.921
where: short stacking energy: -95.390
Base-Backbone interact. energy: -0.103
local terms energy: -108.409868
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -25.436
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: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -340.258947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.258947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.296076 (E_RNA)
where:
Base-Base interactions energy: -233.235
where: short stacking energy: -104.962
Base-Backbone interact. energy: -0.157
local terms energy: -106.904856
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -24.387
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -306.624251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.624251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.640056 (E_RNA)
where:
Base-Base interactions energy: -198.093
where: short stacking energy: -94.465
Base-Backbone interact. energy: -0.197
local terms energy: -108.350044
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -24.007
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. 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: -320.083705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.083705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.245359 (E_RNA)
where:
Base-Base interactions energy: -218.319
where: short stacking energy: -96.511
Base-Backbone interact. energy: -0.063
local terms energy: -101.862794
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -272.508992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.508992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.700528 (E_RNA)
where:
Base-Base interactions energy: -180.418
where: short stacking energy: -84.603
Base-Backbone interact. energy: -0.632
local terms energy: -91.649992
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -257.510174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.510174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.542235 (E_RNA)
where:
Base-Base interactions energy: -165.621
where: short stacking energy: -72.961
Base-Backbone interact. energy: -0.170
local terms energy: -91.750784
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -251.071762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.071762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.192543 (E_RNA)
where:
Base-Base interactions energy: -149.219
where: short stacking energy: -74.041
Base-Backbone interact. energy: -0.143
local terms energy: -101.831213
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.121 (S_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: 427
Temperature: 1.250000
Total energy: -239.975494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.975494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.284688 (E_RNA)
where:
Base-Base interactions energy: -158.427
where: short stacking energy: -74.213
Base-Backbone interact. energy: 0.188
local terms energy: -82.045635
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -23.196
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -224.335834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.335834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.470991 (E_RNA)
where:
Base-Base interactions energy: -138.455
where: short stacking energy: -68.690
Base-Backbone interact. energy: 0.157
local terms energy: -86.173265
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -236.350594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.350594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.758367 (E_RNA)
where:
Base-Base interactions energy: -143.986
where: short stacking energy: -61.398
Base-Backbone interact. energy: 1.810
local terms energy: -94.582423
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.408 (S_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: 428
Temperature: 0.900000
Total energy: -329.651197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.651197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.786651 (E_RNA)
where:
Base-Base interactions energy: -210.142
where: short stacking energy: -106.246
Base-Backbone interact. energy: -0.044
local terms energy: -120.601138
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 1.135 (S_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: 428
Temperature: 0.950000
Total energy: -335.443158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.443158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.538080 (E_RNA)
where:
Base-Base interactions energy: -227.848
where: short stacking energy: -108.462
Base-Backbone interact. energy: -0.042
local terms energy: -107.647879
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -320.866393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.866393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.932023 (E_RNA)
where:
Base-Base interactions energy: -222.238
where: short stacking energy: -106.582
Base-Backbone interact. energy: -0.126
local terms energy: -98.568064
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -26.021
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. 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: -322.999771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.999771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.000132 (E_RNA)
where:
Base-Base interactions energy: -219.130
where: short stacking energy: -107.708
Base-Backbone interact. energy: -0.038
local terms energy: -103.831959
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -28.901
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: 428
Temperature: 1.100000
Total energy: -264.551667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.551667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.560432 (E_RNA)
where:
Base-Base interactions energy: -168.990
where: short stacking energy: -75.743
Base-Backbone interact. energy: -0.116
local terms energy: -95.455174
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -260.658587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.658587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.679512 (E_RNA)
where:
Base-Base interactions energy: -176.347
where: short stacking energy: -77.582
Base-Backbone interact. energy: -0.277
local terms energy: -84.055312
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.021 (S_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: 428
Temperature: 1.200000
Total energy: -250.201698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.201698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.314342 (E_RNA)
where:
Base-Base interactions energy: -150.222
where: short stacking energy: -77.441
Base-Backbone interact. energy: -0.381
local terms energy: -99.711295
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -231.260387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.260387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.282029 (E_RNA)
where:
Base-Base interactions energy: -147.103
where: short stacking energy: -77.125
Base-Backbone interact. energy: 2.340
local terms energy: -86.519375
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -234.975184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.975184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.049044 (E_RNA)
where:
Base-Base interactions energy: -147.733
where: short stacking energy: -70.559
Base-Backbone interact. energy: -0.268
local terms energy: -87.048505
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -211.627560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.627560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.847898 (E_RNA)
where:
Base-Base interactions energy: -125.381
where: short stacking energy: -49.463
Base-Backbone interact. energy: 0.595
local terms energy: -87.062451
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.220 (S_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: 429
Temperature: 0.900000
Total energy: -331.186283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.186283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.599890 (E_RNA)
where:
Base-Base interactions energy: -218.207
where: short stacking energy: -115.567
Base-Backbone interact. energy: -0.334
local terms energy: -115.058471
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -33.615
Dist. restrs. and SS energy: 2.414 (S_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: 429
Temperature: 0.950000
Total energy: -332.208442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.208442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.310753 (E_RNA)
where:
Base-Base interactions energy: -226.801
where: short stacking energy: -99.001
Base-Backbone interact. energy: -0.008
local terms energy: -105.501740
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -305.971913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.971913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.787463 (E_RNA)
where:
Base-Base interactions energy: -202.947
where: short stacking energy: -89.310
Base-Backbone interact. energy: -0.308
local terms energy: -103.532695
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -302.477660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.477660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.548270 (E_RNA)
where:
Base-Base interactions energy: -206.761
where: short stacking energy: -94.715
Base-Backbone interact. energy: -0.348
local terms energy: -95.438879
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -271.216349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.216349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.295417 (E_RNA)
where:
Base-Base interactions energy: -175.335
where: short stacking energy: -87.322
Base-Backbone interact. energy: -0.015
local terms energy: -95.944999
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -260.816154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.816154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.876113 (E_RNA)
where:
Base-Base interactions energy: -165.535
where: short stacking energy: -87.216
Base-Backbone interact. energy: -0.154
local terms energy: -95.186632
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -247.042921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.042921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.042921 (E_RNA)
where:
Base-Base interactions energy: -156.413
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.088
local terms energy: -90.541755
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -241.549109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.549109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.558559 (E_RNA)
where:
Base-Base interactions energy: -154.458
where: short stacking energy: -71.275
Base-Backbone interact. energy: 0.588
local terms energy: -87.688075
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -224.092824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.092824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.239454 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.617
local terms energy: -78.896287
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -217.807246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.807246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.841848 (E_RNA)
where:
Base-Base interactions energy: -131.124
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.417
local terms energy: -86.299995
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -342.595033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.595033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.595033 (E_RNA)
where:
Base-Base interactions energy: -226.673
where: short stacking energy: -104.726
Base-Backbone interact. energy: -0.115
local terms energy: -115.807064
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -32.671
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: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -325.134227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.134227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.626986 (E_RNA)
where:
Base-Base interactions energy: -216.703
where: short stacking energy: -113.713
Base-Backbone interact. energy: -0.006
local terms energy: -109.918699
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -33.513
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -310.488312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.488312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.495176 (E_RNA)
where:
Base-Base interactions energy: -215.539
where: short stacking energy: -103.801
Base-Backbone interact. energy: -0.041
local terms energy: -94.915191
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.007 (S_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: 430
Temperature: 1.050000
Total energy: -304.956902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.956902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.061490 (E_RNA)
where:
Base-Base interactions energy: -206.292
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.191
local terms energy: -98.578598
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -267.198744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.198744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.296252 (E_RNA)
where:
Base-Base interactions energy: -169.814
where: short stacking energy: -81.651
Base-Backbone interact. energy: -0.542
local terms energy: -96.940437
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -270.167480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.167480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.263288 (E_RNA)
where:
Base-Base interactions energy: -178.105
where: short stacking energy: -89.083
Base-Backbone interact. energy: -0.022
local terms energy: -92.135553
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -245.050725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.050725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.203618 (E_RNA)
where:
Base-Base interactions energy: -158.644
where: short stacking energy: -74.100
Base-Backbone interact. energy: -0.108
local terms energy: -86.451748
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -240.008970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.008970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.121202 (E_RNA)
where:
Base-Base interactions energy: -159.255
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.326
local terms energy: -80.539739
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -216.479345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.479345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.588751 (E_RNA)
where:
Base-Base interactions energy: -138.669
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.334
local terms energy: -77.585088
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -222.346493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.346493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560187 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -70.120
Base-Backbone interact. energy: 0.073
local terms energy: -81.004761
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -335.484958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.484958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.493613 (E_RNA)
where:
Base-Base interactions energy: -223.497
where: short stacking energy: -107.469
Base-Backbone interact. energy: -0.116
local terms energy: -111.880210
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -30.341
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -329.773796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.773796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.960056 (E_RNA)
where:
Base-Base interactions energy: -219.272
where: short stacking energy: -104.730
Base-Backbone interact. energy: -0.324
local terms energy: -110.364535
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -28.299
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -324.082882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.082882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.041735 (E_RNA)
where:
Base-Base interactions energy: -220.929
where: short stacking energy: -97.032
Base-Backbone interact. energy: -0.149
local terms energy: -105.963686
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 2.959 (S_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: 431
Temperature: 1.050000
Total energy: -308.535771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.535771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.568335 (E_RNA)
where:
Base-Base interactions energy: -208.907
where: short stacking energy: -97.005
Base-Backbone interact. energy: -0.146
local terms energy: -99.515455
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -258.766924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.766924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.975080 (E_RNA)
where:
Base-Base interactions energy: -163.262
where: short stacking energy: -80.284
Base-Backbone interact. energy: 0.377
local terms energy: -96.090090
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.208 (S_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: 431
Temperature: 1.150000
Total energy: -257.310970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.310970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.511252 (E_RNA)
where:
Base-Base interactions energy: -170.287
where: short stacking energy: -89.644
Base-Backbone interact. energy: -0.018
local terms energy: -87.206220
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.200 (S_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: 431
Temperature: 1.200000
Total energy: -242.715582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.715582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.881186 (E_RNA)
where:
Base-Base interactions energy: -145.138
where: short stacking energy: -73.746
Base-Backbone interact. energy: -0.090
local terms energy: -97.652363
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.166 (S_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: 431
Temperature: 1.250000
Total energy: -234.286668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.286668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.457430 (E_RNA)
where:
Base-Base interactions energy: -141.219
where: short stacking energy: -73.024
Base-Backbone interact. energy: -1.141
local terms energy: -92.097689
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. 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: -237.242707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.242707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.316333 (E_RNA)
where:
Base-Base interactions energy: -155.526
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.978
local terms energy: -80.812827
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -228.476711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.476711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.499793 (E_RNA)
where:
Base-Base interactions energy: -145.785
where: short stacking energy: -70.683
Base-Backbone interact. energy: -0.320
local terms energy: -82.394149
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -344.851381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.851381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.870555 (E_RNA)
where:
Base-Base interactions energy: -223.844
where: short stacking energy: -107.186
Base-Backbone interact. energy: -0.008
local terms energy: -121.018569
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 0.019 (S_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: 432
Temperature: 0.950000
Total energy: -330.170166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.170166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.170166 (E_RNA)
where:
Base-Base interactions energy: -216.562
where: short stacking energy: -100.961
Base-Backbone interact. energy: -1.003
local terms energy: -112.605295
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -321.629484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.629484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.190592 (E_RNA)
where:
Base-Base interactions energy: -207.617
where: short stacking energy: -105.801
Base-Backbone interact. energy: -0.578
local terms energy: -114.995316
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -33.142
Dist. restrs. and SS energy: 1.561 (S_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: 432
Temperature: 1.050000
Total energy: -319.271923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.271923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.280246 (E_RNA)
where:
Base-Base interactions energy: -216.104
where: short stacking energy: -105.909
Base-Backbone interact. energy: 0.007
local terms energy: -103.183180
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.008 (S_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: 432
Temperature: 1.100000
Total energy: -259.134231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.134231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.199170 (E_RNA)
where:
Base-Base interactions energy: -159.687
where: short stacking energy: -88.306
Base-Backbone interact. energy: -0.007
local terms energy: -99.505715
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -272.666579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.666579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.765211 (E_RNA)
where:
Base-Base interactions energy: -170.298
where: short stacking energy: -82.513
Base-Backbone interact. energy: -0.142
local terms energy: -102.324409
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -23.142
Dist. restrs. and SS energy: 0.099 (S_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: 432
Temperature: 1.200000
Total energy: -234.569639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.569639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.663919 (E_RNA)
where:
Base-Base interactions energy: -153.437
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.622
local terms energy: -80.605430
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.094 (S_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: 432
Temperature: 1.250000
Total energy: -242.698229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.698229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.810814 (E_RNA)
where:
Base-Base interactions energy: -157.423
where: short stacking energy: -73.930
Base-Backbone interact. energy: 0.271
local terms energy: -85.659288
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -228.490387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.490387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.672067 (E_RNA)
where:
Base-Base interactions energy: -146.052
where: short stacking energy: -73.368
Base-Backbone interact. energy: -0.809
local terms energy: -81.811595
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.182 (S_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: 432
Temperature: 1.350000
Total energy: -223.355641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.424703 (E_RNA)
where:
Base-Base interactions energy: -143.792
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.130
local terms energy: -79.502393
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -345.344926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.344926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.344926 (E_RNA)
where:
Base-Base interactions energy: -228.234
where: short stacking energy: -109.454
Base-Backbone interact. energy: 0.274
local terms energy: -117.385586
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -20.574
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: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -336.960640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.960640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.991674 (E_RNA)
where:
Base-Base interactions energy: -221.678
where: short stacking energy: -109.928
Base-Backbone interact. energy: -0.350
local terms energy: -114.963887
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -325.061479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.061479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.522935 (E_RNA)
where:
Base-Base interactions energy: -214.206
where: short stacking energy: -94.740
Base-Backbone interact. energy: -0.085
local terms energy: -113.232374
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -29.253
Dist. restrs. and SS energy: 2.461 (S_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: 433
Temperature: 1.050000
Total energy: -311.569103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.569103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.612950 (E_RNA)
where:
Base-Base interactions energy: -201.285
where: short stacking energy: -99.226
Base-Backbone interact. energy: -0.036
local terms energy: -110.291520
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.044 (S_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: 433
Temperature: 1.100000
Total energy: -258.854877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.854877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.934868 (E_RNA)
where:
Base-Base interactions energy: -162.380
where: short stacking energy: -82.644
Base-Backbone interact. energy: -0.079
local terms energy: -96.476385
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -263.073099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.073099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.112652 (E_RNA)
where:
Base-Base interactions energy: -166.422
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.240
local terms energy: -96.450617
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.040 (S_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: 433
Temperature: 1.200000
Total energy: -239.046394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.046394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.149431 (E_RNA)
where:
Base-Base interactions energy: -155.334
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.520
local terms energy: -83.295848
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -234.586172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.586172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.626924 (E_RNA)
where:
Base-Base interactions energy: -154.590
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.901
local terms energy: -79.136355
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.041 (S_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: 433
Temperature: 1.300000
Total energy: -214.862626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.862626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.862626 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.127
local terms energy: -82.782057
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -216.756864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.756864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.817049 (E_RNA)
where:
Base-Base interactions energy: -132.358
where: short stacking energy: -57.891
Base-Backbone interact. energy: 1.403
local terms energy: -85.861895
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -328.119392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.119392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.211541 (E_RNA)
where:
Base-Base interactions energy: -223.357
where: short stacking energy: -103.083
Base-Backbone interact. energy: -0.182
local terms energy: -104.671803
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -27.977
Dist. restrs. and SS energy: 0.092 (S_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: 434
Temperature: 0.950000
Total energy: -334.901638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.901638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.901638 (E_RNA)
where:
Base-Base interactions energy: -217.861
where: short stacking energy: -99.853
Base-Backbone interact. energy: -0.100
local terms energy: -116.941500
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -18.741
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: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -314.210166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.210166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.342723 (E_RNA)
where:
Base-Base interactions energy: -208.278
where: short stacking energy: -105.326
Base-Backbone interact. energy: -0.088
local terms energy: -107.976996
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -32.007
Dist. restrs. and SS energy: 2.133 (S_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: 434
Temperature: 1.050000
Total energy: -322.687171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.687171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.784336 (E_RNA)
where:
Base-Base interactions energy: -215.932
where: short stacking energy: -106.042
Base-Backbone interact. energy: -0.001
local terms energy: -106.851777
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -27.795
Dist. restrs. and SS energy: 0.097 (S_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: 434
Temperature: 1.100000
Total energy: -262.277916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.277916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.290034 (E_RNA)
where:
Base-Base interactions energy: -164.521
where: short stacking energy: -89.420
Base-Backbone interact. energy: -0.317
local terms energy: -97.451921
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.012 (S_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: 434
Temperature: 1.150000
Total energy: -263.423765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.423765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.510602 (E_RNA)
where:
Base-Base interactions energy: -174.958
where: short stacking energy: -80.059
Base-Backbone interact. energy: -0.043
local terms energy: -88.509064
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.087 (S_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: 434
Temperature: 1.200000
Total energy: -239.729198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.729198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.905851 (E_RNA)
where:
Base-Base interactions energy: -147.599
where: short stacking energy: -74.634
Base-Backbone interact. energy: -0.244
local terms energy: -92.062943
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -234.002591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.002591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.002591 (E_RNA)
where:
Base-Base interactions energy: -145.063
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.462
local terms energy: -88.477105
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -223.075518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.075518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.075518 (E_RNA)
where:
Base-Base interactions energy: -140.883
where: short stacking energy: -61.131
Base-Backbone interact. energy: 1.417
local terms energy: -83.610314
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -16.811
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: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -214.573162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.573162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.573162 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -58.300
Base-Backbone interact. energy: -0.437
local terms energy: -90.457526
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -16.791
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -340.065174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.065174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.069512 (E_RNA)
where:
Base-Base interactions energy: -225.406
where: short stacking energy: -95.928
Base-Backbone interact. energy: -0.028
local terms energy: -114.635761
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.004 (S_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: 435
Temperature: 0.950000
Total energy: -328.696108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.696108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.763451 (E_RNA)
where:
Base-Base interactions energy: -214.526
where: short stacking energy: -99.064
Base-Backbone interact. energy: -0.051
local terms energy: -114.186168
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -33.608
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -310.168957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.168957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.213590 (E_RNA)
where:
Base-Base interactions energy: -206.616
where: short stacking energy: -104.147
Base-Backbone interact. energy: -0.781
local terms energy: -102.817157
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -29.662
Dist. restrs. and SS energy: 0.045 (S_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: 435
Temperature: 1.050000
Total energy: -319.048553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.048553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.134765 (E_RNA)
where:
Base-Base interactions energy: -205.879
where: short stacking energy: -95.117
Base-Backbone interact. energy: -0.022
local terms energy: -113.233679
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -27.998
Dist. restrs. and SS energy: 0.086 (S_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: 435
Temperature: 1.100000
Total energy: -270.637304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.637304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.784370 (E_RNA)
where:
Base-Base interactions energy: -175.188
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.387
local terms energy: -95.209169
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 0.147 (S_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: 435
Temperature: 1.150000
Total energy: -274.919964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.919964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.963331 (E_RNA)
where:
Base-Base interactions energy: -182.241
where: short stacking energy: -79.475
Base-Backbone interact. energy: -0.162
local terms energy: -92.560290
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -268.697698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.697698 (E_RNA)
where:
Base-Base interactions energy: -177.722
where: short stacking energy: -84.117
Base-Backbone interact. energy: -0.224
local terms energy: -90.751504
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -24.811
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -234.554044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.554044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.576324 (E_RNA)
where:
Base-Base interactions energy: -153.644
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.289
local terms energy: -80.643518
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -220.925263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.925263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.251237 (E_RNA)
where:
Base-Base interactions energy: -135.017
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.297
local terms energy: -85.936978
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.326 (S_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: 435
Temperature: 1.350000
Total energy: -238.890694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.890694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.904865 (E_RNA)
where:
Base-Base interactions energy: -147.097
where: short stacking energy: -77.071
Base-Backbone interact. energy: 0.757
local terms energy: -92.564233
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -341.786609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.786609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.794411 (E_RNA)
where:
Base-Base interactions energy: -235.721
where: short stacking energy: -105.244
Base-Backbone interact. energy: -0.105
local terms energy: -105.968066
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.008 (S_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: 436
Temperature: 0.950000
Total energy: -323.679033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.679033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.710833 (E_RNA)
where:
Base-Base interactions energy: -209.787
where: short stacking energy: -96.282
Base-Backbone interact. energy: -0.043
local terms energy: -113.880175
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -320.394877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.394877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.394877 (E_RNA)
where:
Base-Base interactions energy: -209.043
where: short stacking energy: -92.519
Base-Backbone interact. energy: -0.219
local terms energy: -111.133524
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -285.261907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.261907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.355019 (E_RNA)
where:
Base-Base interactions energy: -195.567
where: short stacking energy: -89.064
Base-Backbone interact. energy: -0.246
local terms energy: -89.542152
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.093 (S_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: 436
Temperature: 1.100000
Total energy: -270.355635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.355635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.587294 (E_RNA)
where:
Base-Base interactions energy: -170.418
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.224
local terms energy: -99.944704
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.232 (S_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: 436
Temperature: 1.150000
Total energy: -267.385126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.385126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.828868 (E_RNA)
where:
Base-Base interactions energy: -176.899
where: short stacking energy: -79.108
Base-Backbone interact. energy: -0.131
local terms energy: -90.798550
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -251.906227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.906227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.983331 (E_RNA)
where:
Base-Base interactions energy: -169.982
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.188
local terms energy: -81.812590
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -235.653268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.690120 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.076
local terms energy: -92.384490
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -229.077725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.077725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.182129 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -68.829
Base-Backbone interact. energy: -0.492
local terms energy: -85.665038
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.104 (S_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: 436
Temperature: 1.350000
Total energy: -220.057949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.057949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.116771 (E_RNA)
where:
Base-Base interactions energy: -144.582
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.295
local terms energy: -75.239531
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -333.507146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.507146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.538061 (E_RNA)
where:
Base-Base interactions energy: -222.184
where: short stacking energy: -101.361
Base-Backbone interact. energy: -0.039
local terms energy: -111.314863
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -320.699712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.699712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.421011 (E_RNA)
where:
Base-Base interactions energy: -209.502
where: short stacking energy: -97.563
Base-Backbone interact. energy: -0.048
local terms energy: -112.871170
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -26.360
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -319.278001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.278001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.419830 (E_RNA)
where:
Base-Base interactions energy: -210.265
where: short stacking energy: -94.394
Base-Backbone interact. energy: -0.242
local terms energy: -108.912919
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.142 (S_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: 437
Temperature: 1.050000
Total energy: -281.884772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.884772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.914273 (E_RNA)
where:
Base-Base interactions energy: -181.705
where: short stacking energy: -82.512
Base-Backbone interact. energy: -0.730
local terms energy: -99.479327
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -256.242191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.242191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.377174 (E_RNA)
where:
Base-Base interactions energy: -171.347
where: short stacking energy: -90.048
Base-Backbone interact. energy: -0.338
local terms energy: -84.691987
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.135 (S_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: 437
Temperature: 1.150000
Total energy: -255.090652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.090652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.163838 (E_RNA)
where:
Base-Base interactions energy: -154.483
where: short stacking energy: -80.368
Base-Backbone interact. energy: -0.129
local terms energy: -100.552086
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.073 (S_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: 437
Temperature: 1.200000
Total energy: -283.063568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.063568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.063568 (E_RNA)
where:
Base-Base interactions energy: -185.642
where: short stacking energy: -76.801
Base-Backbone interact. energy: -0.421
local terms energy: -97.000766
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -231.578284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.578284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.727618 (E_RNA)
where:
Base-Base interactions energy: -150.769
where: short stacking energy: -73.166
Base-Backbone interact. energy: -0.100
local terms energy: -80.858521
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -232.296497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.296497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.318401 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -68.954
Base-Backbone interact. energy: -0.064
local terms energy: -92.764119
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.022 (S_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: 437
Temperature: 1.350000
Total energy: -226.056250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.056250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.069004 (E_RNA)
where:
Base-Base interactions energy: -146.893
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.094
local terms energy: -79.081530
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -334.038738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.038738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.248396 (E_RNA)
where:
Base-Base interactions energy: -223.176
where: short stacking energy: -108.218
Base-Backbone interact. energy: -0.020
local terms energy: -111.052142
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -334.044153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.044153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.290398 (E_RNA)
where:
Base-Base interactions energy: -225.786
where: short stacking energy: -105.557
Base-Backbone interact. energy: -0.053
local terms energy: -108.452200
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -34.153
Dist. restrs. and SS energy: 0.246 (S_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: 438
Temperature: 1.000000
Total energy: -313.024754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.024754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.199765 (E_RNA)
where:
Base-Base interactions energy: -203.155
where: short stacking energy: -94.267
Base-Backbone interact. energy: -0.650
local terms energy: -109.394690
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.175 (S_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: 438
Temperature: 1.050000
Total energy: -264.259834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.259834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.311934 (E_RNA)
where:
Base-Base interactions energy: -167.462
where: short stacking energy: -80.745
Base-Backbone interact. energy: 0.073
local terms energy: -96.923331
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.052 (S_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: 438
Temperature: 1.100000
Total energy: -304.767641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.767641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.905649 (E_RNA)
where:
Base-Base interactions energy: -197.205
where: short stacking energy: -88.262
Base-Backbone interact. energy: -0.530
local terms energy: -107.169917
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -26.528
Dist. restrs. and SS energy: 0.138 (S_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: 438
Temperature: 1.150000
Total energy: -244.368287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.368287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.576163 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -75.626
Base-Backbone interact. energy: 1.493
local terms energy: -98.174125
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.208 (S_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: 438
Temperature: 1.200000
Total energy: -285.054481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.054481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.167461 (E_RNA)
where:
Base-Base interactions energy: -199.083
where: short stacking energy: -81.581
Base-Backbone interact. energy: -0.112
local terms energy: -85.972507
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -234.926058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.926058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.974554 (E_RNA)
where:
Base-Base interactions energy: -143.137
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.621
local terms energy: -91.216109
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.048 (S_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: 438
Temperature: 1.300000
Total energy: -229.719557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.719557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.898087 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -73.816
Base-Backbone interact. energy: 1.874
local terms energy: -85.438937
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -221.744674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.744674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.845416 (E_RNA)
where:
Base-Base interactions energy: -141.752
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.460
local terms energy: -79.633803
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -340.966626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.966626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.099526 (E_RNA)
where:
Base-Base interactions energy: -227.638
where: short stacking energy: -103.351
Base-Backbone interact. energy: -0.102
local terms energy: -113.359584
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -29.055
Dist. restrs. and SS energy: 0.133 (S_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: 439
Temperature: 0.950000
Total energy: -331.033149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.033149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.034369 (E_RNA)
where:
Base-Base interactions energy: -213.588
where: short stacking energy: -99.414
Base-Backbone interact. energy: -0.020
local terms energy: -117.426465
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -323.747267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.747267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.779392 (E_RNA)
where:
Base-Base interactions energy: -218.155
where: short stacking energy: -104.071
Base-Backbone interact. energy: -0.003
local terms energy: -105.621363
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.032 (S_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: 439
Temperature: 1.050000
Total energy: -283.196109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.196109 (E_RNA)
where:
Base-Base interactions energy: -186.554
where: short stacking energy: -92.048
Base-Backbone interact. energy: -0.376
local terms energy: -96.266111
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -287.197341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.290784 (E_RNA)
where:
Base-Base interactions energy: -190.032
where: short stacking energy: -85.418
Base-Backbone interact. energy: -0.073
local terms energy: -97.185756
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.093 (S_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: 439
Temperature: 1.150000
Total energy: -248.133224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.133224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.384974 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.176
local terms energy: -98.969996
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.252 (S_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: 439
Temperature: 1.200000
Total energy: -206.067372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.296782 (E_RNA)
where:
Base-Base interactions energy: -135.899
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.401
local terms energy: -69.997391
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.229 (S_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: 439
Temperature: 1.250000
Total energy: -241.070856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.070856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.153348 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.107
local terms energy: -85.679719
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -239.446446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.446446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.620047 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -71.919
Base-Backbone interact. energy: -0.723
local terms energy: -86.975609
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -228.596884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.596884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.697618 (E_RNA)
where:
Base-Base interactions energy: -145.697
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.044
local terms energy: -82.956363
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -8.174
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -339.579642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.579642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.591018 (E_RNA)
where:
Base-Base interactions energy: -227.176
where: short stacking energy: -110.076
Base-Backbone interact. energy: -0.073
local terms energy: -112.342177
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.011 (S_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: 440
Temperature: 0.950000
Total energy: -320.374699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.374699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.375797 (E_RNA)
where:
Base-Base interactions energy: -214.829
where: short stacking energy: -99.721
Base-Backbone interact. energy: -0.041
local terms energy: -105.505168
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -319.818367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.818367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.053240 (E_RNA)
where:
Base-Base interactions energy: -221.098
where: short stacking energy: -106.456
Base-Backbone interact. energy: -0.034
local terms energy: -98.921538
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -28.230
Dist. restrs. and SS energy: 0.235 (S_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: 440
Temperature: 1.050000
Total energy: -266.671322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.671322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.854170 (E_RNA)
where:
Base-Base interactions energy: -166.335
where: short stacking energy: -81.524
Base-Backbone interact. energy: 0.133
local terms energy: -100.652654
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.183 (S_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: 440
Temperature: 1.100000
Total energy: -290.026749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.026749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.070003 (E_RNA)
where:
Base-Base interactions energy: -185.725
where: short stacking energy: -82.577
Base-Backbone interact. energy: -0.287
local terms energy: -104.057456
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.043 (S_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: 440
Temperature: 1.150000
Total energy: -274.939745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.939745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.939745 (E_RNA)
where:
Base-Base interactions energy: -175.344
where: short stacking energy: -94.842
Base-Backbone interact. energy: -0.075
local terms energy: -99.520355
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -240.954350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.954350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.987578 (E_RNA)
where:
Base-Base interactions energy: -155.780
where: short stacking energy: -73.938
Base-Backbone interact. energy: -0.191
local terms energy: -85.016331
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.033 (S_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: 440
Temperature: 1.250000
Total energy: -223.171039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.171039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375042 (E_RNA)
where:
Base-Base interactions energy: -147.565
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.128
local terms energy: -75.681995
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. 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: -243.114759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.114759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.151601 (E_RNA)
where:
Base-Base interactions energy: -160.742
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.119
local terms energy: -82.290939
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -227.657712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.661304 (E_RNA)
where:
Base-Base interactions energy: -138.342
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.108
local terms energy: -89.211094
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -345.861688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.861688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.872782 (E_RNA)
where:
Base-Base interactions energy: -228.460
where: short stacking energy: -117.839
Base-Backbone interact. energy: -0.103
local terms energy: -117.310007
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -32.447
Dist. restrs. and SS energy: 0.011 (S_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: 441
Temperature: 0.950000
Total energy: -328.545146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.545146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.755725 (E_RNA)
where:
Base-Base interactions energy: -219.110
where: short stacking energy: -88.366
Base-Backbone interact. energy: -0.059
local terms energy: -109.586244
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -25.249
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -313.894033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.894033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.337160 (E_RNA)
where:
Base-Base interactions energy: -214.766
where: short stacking energy: -99.244
Base-Backbone interact. energy: -0.247
local terms energy: -99.323677
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.443 (S_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: 441
Temperature: 1.050000
Total energy: -314.963616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.963616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.163602 (E_RNA)
where:
Base-Base interactions energy: -218.365
where: short stacking energy: -96.465
Base-Backbone interact. energy: -0.240
local terms energy: -96.559057
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.200 (S_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: 441
Temperature: 1.100000
Total energy: -270.519384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.519384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.578686 (E_RNA)
where:
Base-Base interactions energy: -180.122
where: short stacking energy: -77.581
Base-Backbone interact. energy: -0.124
local terms energy: -90.332643
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.059 (S_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: 441
Temperature: 1.150000
Total energy: -263.383224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.383224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.557309 (E_RNA)
where:
Base-Base interactions energy: -163.552
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.154
local terms energy: -99.851439
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.174 (S_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: 441
Temperature: 1.200000
Total energy: -253.998670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.998670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.010177 (E_RNA)
where:
Base-Base interactions energy: -152.658
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.099
local terms energy: -101.252868
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -240.004561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.004561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.068032 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.779
local terms energy: -92.278823
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -221.527137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.527137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.535948 (E_RNA)
where:
Base-Base interactions energy: -142.456
where: short stacking energy: -69.330
Base-Backbone interact. energy: 0.936
local terms energy: -80.015906
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -227.152766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.152766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.272484 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -57.793
Base-Backbone interact. energy: 0.319
local terms energy: -86.827164
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -346.769685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.769685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.769685 (E_RNA)
where:
Base-Base interactions energy: -227.727
where: short stacking energy: -107.344
Base-Backbone interact. energy: -1.669
local terms energy: -117.373661
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -30.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -332.679409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.679409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.767093 (E_RNA)
where:
Base-Base interactions energy: -224.025
where: short stacking energy: -106.471
Base-Backbone interact. energy: -0.018
local terms energy: -108.724113
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -27.032
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -329.807878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.807878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.967440 (E_RNA)
where:
Base-Base interactions energy: -224.506
where: short stacking energy: -95.047
Base-Backbone interact. energy: 0.089
local terms energy: -105.550530
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -302.922131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.922131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.933100 (E_RNA)
where:
Base-Base interactions energy: -205.115
where: short stacking energy: -97.088
Base-Backbone interact. energy: -0.283
local terms energy: -97.534516
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -256.948305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.948305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.948305 (E_RNA)
where:
Base-Base interactions energy: -159.924
where: short stacking energy: -87.192
Base-Backbone interact. energy: -0.014
local terms energy: -97.010836
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -259.604904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.604904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.604904 (E_RNA)
where:
Base-Base interactions energy: -170.215
where: short stacking energy: -77.953
Base-Backbone interact. energy: 2.072
local terms energy: -91.461763
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -22.552
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: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -248.348292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.348292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.348292 (E_RNA)
where:
Base-Base interactions energy: -160.104
where: short stacking energy: -80.493
Base-Backbone interact. energy: -0.051
local terms energy: -88.193022
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -229.916859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.916859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165199 (E_RNA)
where:
Base-Base interactions energy: -137.701
where: short stacking energy: -69.001
Base-Backbone interact. energy: -0.374
local terms energy: -92.089672
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -224.989663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.989663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.449891 (E_RNA)
where:
Base-Base interactions energy: -142.031
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.360
local terms energy: -83.059197
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -220.306992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.306992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.342323 (E_RNA)
where:
Base-Base interactions energy: -136.553
where: short stacking energy: -60.639
Base-Backbone interact. energy: -0.207
local terms energy: -83.582511
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -341.540250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.540250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.591376 (E_RNA)
where:
Base-Base interactions energy: -225.574
where: short stacking energy: -112.014
Base-Backbone interact. energy: -0.010
local terms energy: -116.008183
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -32.349
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -326.803330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.803330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.886669 (E_RNA)
where:
Base-Base interactions energy: -222.688
where: short stacking energy: -100.867
Base-Backbone interact. energy: -0.086
local terms energy: -104.113021
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -24.174
Dist. restrs. and SS energy: 0.083 (S_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: 443
Temperature: 1.000000
Total energy: -317.053782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.053782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.079623 (E_RNA)
where:
Base-Base interactions energy: -210.764
where: short stacking energy: -99.328
Base-Backbone interact. energy: 0.469
local terms energy: -106.784434
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -320.154401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.154401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.154401 (E_RNA)
where:
Base-Base interactions energy: -214.297
where: short stacking energy: -97.873
Base-Backbone interact. energy: -0.130
local terms energy: -105.727531
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -25.163
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -23.401
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: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -277.438925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.438925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.712521 (E_RNA)
where:
Base-Base interactions energy: -173.254
where: short stacking energy: -86.903
Base-Backbone interact. energy: -0.279
local terms energy: -104.179000
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -260.238376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.238376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.382472 (E_RNA)
where:
Base-Base interactions energy: -176.917
where: short stacking energy: -89.021
Base-Backbone interact. energy: -0.008
local terms energy: -83.457182
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -259.886171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.886171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.886413 (E_RNA)
where:
Base-Base interactions energy: -165.101
where: short stacking energy: -68.918
Base-Backbone interact. energy: -1.162
local terms energy: -93.622780
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -14.197
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: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -247.562948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.562948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.582202 (E_RNA)
where:
Base-Base interactions energy: -150.429
where: short stacking energy: -79.483
Base-Backbone interact. energy: -0.088
local terms energy: -97.066046
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. 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: -255.361657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.361657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.466529 (E_RNA)
where:
Base-Base interactions energy: -162.397
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.819
local terms energy: -92.250600
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -221.953406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.953406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011163 (E_RNA)
where:
Base-Base interactions energy: -146.431
where: short stacking energy: -66.246
Base-Backbone interact. energy: 1.966
local terms energy: -77.545429
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -334.938725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.938725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.208941 (E_RNA)
where:
Base-Base interactions energy: -228.294
where: short stacking energy: -113.912
Base-Backbone interact. energy: -0.052
local terms energy: -106.862729
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -30.476
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -321.852216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.852216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.130188 (E_RNA)
where:
Base-Base interactions energy: -213.939
where: short stacking energy: -98.439
Base-Backbone interact. energy: -0.216
local terms energy: -107.975240
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -27.441
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -315.116650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.116650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.204187 (E_RNA)
where:
Base-Base interactions energy: -207.688
where: short stacking energy: -98.549
Base-Backbone interact. energy: -0.009
local terms energy: -107.507170
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -25.859
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -316.651014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.651014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.707564 (E_RNA)
where:
Base-Base interactions energy: -214.511
where: short stacking energy: -96.897
Base-Backbone interact. energy: -0.062
local terms energy: -102.134262
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -263.920337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.920337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.168232 (E_RNA)
where:
Base-Base interactions energy: -185.967
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.104
local terms energy: -78.097449
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.248 (S_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: 444
Temperature: 1.150000
Total energy: -251.374046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.374046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.572315 (E_RNA)
where:
Base-Base interactions energy: -162.599
where: short stacking energy: -85.637
Base-Backbone interact. energy: 0.614
local terms energy: -89.587800
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.198 (S_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: 444
Temperature: 1.200000
Total energy: -254.186386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.186386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.587225 (E_RNA)
where:
Base-Base interactions energy: -161.463
where: short stacking energy: -94.022
Base-Backbone interact. energy: 0.429
local terms energy: -93.553300
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -237.352814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.352814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.352814 (E_RNA)
where:
Base-Base interactions energy: -153.440
where: short stacking energy: -72.427
Base-Backbone interact. energy: 0.268
local terms energy: -84.181102
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -242.107725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.107725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.122027 (E_RNA)
where:
Base-Base interactions energy: -151.284
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.193
local terms energy: -90.645142
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -225.639016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.639016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.650036 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -66.917
Base-Backbone interact. energy: -0.371
local terms energy: -81.802845
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -334.550918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.550918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.620063 (E_RNA)
where:
Base-Base interactions energy: -220.270
where: short stacking energy: -101.584
Base-Backbone interact. energy: -0.020
local terms energy: -114.329490
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -320.131691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.131691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.167527 (E_RNA)
where:
Base-Base interactions energy: -207.918
where: short stacking energy: -102.282
Base-Backbone interact. energy: -0.003
local terms energy: -112.246510
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -29.727
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -330.227311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.227311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.227311 (E_RNA)
where:
Base-Base interactions energy: -219.249
where: short stacking energy: -105.845
Base-Backbone interact. energy: -0.611
local terms energy: -110.367532
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -29.087
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -305.327647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.327647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.327647 (E_RNA)
where:
Base-Base interactions energy: -206.968
where: short stacking energy: -94.283
Base-Backbone interact. energy: -0.262
local terms energy: -98.097050
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -285.396441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.396441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.499392 (E_RNA)
where:
Base-Base interactions energy: -190.431
where: short stacking energy: -81.377
Base-Backbone interact. energy: -0.260
local terms energy: -94.808885
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.103 (S_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: 445
Temperature: 1.150000
Total energy: -244.822176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.822176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.259633 (E_RNA)
where:
Base-Base interactions energy: -149.543
where: short stacking energy: -79.672
Base-Backbone interact. energy: -0.082
local terms energy: -95.635383
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.437 (S_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: 445
Temperature: 1.200000
Total energy: -244.613319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.613319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.620577 (E_RNA)
where:
Base-Base interactions energy: -154.620
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.245
local terms energy: -89.755385
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -241.038972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.038972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.048651 (E_RNA)
where:
Base-Base interactions energy: -155.617
where: short stacking energy: -76.314
Base-Backbone interact. energy: -0.423
local terms energy: -85.008029
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -241.123197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.123197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.124303 (E_RNA)
where:
Base-Base interactions energy: -153.852
where: short stacking energy: -52.444
Base-Backbone interact. energy: -1.006
local terms energy: -86.265761
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -235.768221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.768221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.809798 (E_RNA)
where:
Base-Base interactions energy: -148.771
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.154
local terms energy: -86.884587
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -335.529666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.529666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.622089 (E_RNA)
where:
Base-Base interactions energy: -221.049
where: short stacking energy: -101.577
Base-Backbone interact. energy: -0.117
local terms energy: -114.455874
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -27.791
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -330.925612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.925612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.925612 (E_RNA)
where:
Base-Base interactions energy: -221.864
where: short stacking energy: -106.518
Base-Backbone interact. energy: -0.898
local terms energy: -108.163055
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -31.916
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -327.495806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.495806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.876172 (E_RNA)
where:
Base-Base interactions energy: -220.368
where: short stacking energy: -107.586
Base-Backbone interact. energy: 0.094
local terms energy: -107.602867
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.380 (S_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: 446
Temperature: 1.050000
Total energy: -322.680498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.680498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.810564 (E_RNA)
where:
Base-Base interactions energy: -213.628
where: short stacking energy: -99.706
Base-Backbone interact. energy: -0.102
local terms energy: -109.079771
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -278.154280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.154280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.244256 (E_RNA)
where:
Base-Base interactions energy: -181.399
where: short stacking energy: -92.877
Base-Backbone interact. energy: -0.387
local terms energy: -96.458112
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -26.812
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -258.115586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.115586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.148594 (E_RNA)
where:
Base-Base interactions energy: -165.825
where: short stacking energy: -68.001
Base-Backbone interact. energy: -0.247
local terms energy: -92.076114
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -252.228277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.228277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.324653 (E_RNA)
where:
Base-Base interactions energy: -157.783
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.025
local terms energy: -94.516623
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -23.050
Dist. restrs. and SS energy: 0.096 (S_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: 446
Temperature: 1.250000
Total energy: -238.065400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.065400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.447952 (E_RNA)
where:
Base-Base interactions energy: -148.572
where: short stacking energy: -74.680
Base-Backbone interact. energy: 2.024
local terms energy: -91.899948
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. 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: -244.235982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.235982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.241752 (E_RNA)
where:
Base-Base interactions energy: -154.851
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.114
local terms energy: -89.277584
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -221.551126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.551126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.551126 (E_RNA)
where:
Base-Base interactions energy: -135.926
where: short stacking energy: -72.176
Base-Backbone interact. energy: -0.978
local terms energy: -84.647032
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -16.074
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: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -331.878753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.878753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.878753 (E_RNA)
where:
Base-Base interactions energy: -216.273
where: short stacking energy: -99.488
Base-Backbone interact. energy: -0.009
local terms energy: -115.597408
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -28.775
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -312.781629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.781629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.891598 (E_RNA)
where:
Base-Base interactions energy: -211.765
where: short stacking energy: -87.054
Base-Backbone interact. energy: -0.217
local terms energy: -100.909538
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -309.922253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.922253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.828078 (E_RNA)
where:
Base-Base interactions energy: -207.754
where: short stacking energy: -94.234
Base-Backbone interact. energy: -0.546
local terms energy: -102.527963
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -303.214343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.214343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.226208 (E_RNA)
where:
Base-Base interactions energy: -201.613
where: short stacking energy: -88.771
Base-Backbone interact. energy: -0.417
local terms energy: -101.196693
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -27.846
Dist. restrs. and SS energy: 0.012 (S_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: 447
Temperature: 1.100000
Total energy: -291.148752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.148752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.458473 (E_RNA)
where:
Base-Base interactions energy: -188.474
where: short stacking energy: -78.562
Base-Backbone interact. energy: -0.196
local terms energy: -102.787972
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -266.464277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.464277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.586819 (E_RNA)
where:
Base-Base interactions energy: -171.865
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.200
local terms energy: -94.521346
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.123 (S_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: 447
Temperature: 1.200000
Total energy: -246.880634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.880634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.880634 (E_RNA)
where:
Base-Base interactions energy: -162.359
where: short stacking energy: -74.566
Base-Backbone interact. energy: -0.179
local terms energy: -84.343063
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -23.190
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -247.527201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.527201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.865323 (E_RNA)
where:
Base-Base interactions energy: -152.074
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.414
local terms energy: -95.376484
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. 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: -242.017187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.017187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.017187 (E_RNA)
where:
Base-Base interactions energy: -163.023
where: short stacking energy: -72.579
Base-Backbone interact. energy: 0.126
local terms energy: -79.120308
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -14.509
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: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -231.474852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.474852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.474852 (E_RNA)
where:
Base-Base interactions energy: -140.877
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.227
local terms energy: -90.370278
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -326.084304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.084304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.154975 (E_RNA)
where:
Base-Base interactions energy: -221.339
where: short stacking energy: -93.311
Base-Backbone interact. energy: -0.216
local terms energy: -104.599496
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -322.447219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.447219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.128932 (E_RNA)
where:
Base-Base interactions energy: -215.919
where: short stacking energy: -94.467
Base-Backbone interact. energy: -0.073
local terms energy: -108.136841
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -27.252
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -335.078853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.078853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.177601 (E_RNA)
where:
Base-Base interactions energy: -227.471
where: short stacking energy: -104.315
Base-Backbone interact. energy: -0.173
local terms energy: -107.533416
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -27.944
Dist. restrs. and SS energy: 0.099 (S_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: 448
Temperature: 1.050000
Total energy: -312.502383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.502383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.551235 (E_RNA)
where:
Base-Base interactions energy: -210.927
where: short stacking energy: -88.777
Base-Backbone interact. energy: -0.123
local terms energy: -101.501339
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.049 (S_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: 448
Temperature: 1.100000
Total energy: -300.726718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.726718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.726718 (E_RNA)
where:
Base-Base interactions energy: -199.810
where: short stacking energy: -91.831
Base-Backbone interact. energy: -0.062
local terms energy: -100.854356
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -294.603840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.603840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.861849 (E_RNA)
where:
Base-Base interactions energy: -192.839
where: short stacking energy: -90.797
Base-Backbone interact. energy: 0.968
local terms energy: -102.990444
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -26.489
Dist. restrs. and SS energy: 0.258 (S_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: 448
Temperature: 1.200000
Total energy: -255.555832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.555832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.686458 (E_RNA)
where:
Base-Base interactions energy: -163.140
where: short stacking energy: -81.589
Base-Backbone interact. energy: -0.198
local terms energy: -92.348947
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -25.287
Dist. restrs. and SS energy: 0.131 (S_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: 448
Temperature: 1.250000
Total energy: -258.508903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.508903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.998794 (E_RNA)
where:
Base-Base interactions energy: -161.167
where: short stacking energy: -81.445
Base-Backbone interact. energy: -0.755
local terms energy: -97.076429
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -227.248728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.501513 (E_RNA)
where:
Base-Base interactions energy: -156.152
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.445
local terms energy: -70.904139
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.253 (S_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: -219.400798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.400798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.608334 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -71.525
Base-Backbone interact. energy: 0.473
local terms energy: -76.641539
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -331.564814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.564814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.639919 (E_RNA)
where:
Base-Base interactions energy: -221.992
where: short stacking energy: -106.512
Base-Backbone interact. energy: -1.173
local terms energy: -110.475248
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -28.894
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -335.197055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.197055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.205443 (E_RNA)
where:
Base-Base interactions energy: -222.757
where: short stacking energy: -103.894
Base-Backbone interact. energy: -0.008
local terms energy: -112.440840
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -34.742
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -327.473507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.473507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.736826 (E_RNA)
where:
Base-Base interactions energy: -220.999
where: short stacking energy: -110.272
Base-Backbone interact. energy: -0.031
local terms energy: -107.707186
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -34.256
Dist. restrs. and SS energy: 1.263 (S_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: 449
Temperature: 1.050000
Total energy: -308.139989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.139989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.161180 (E_RNA)
where:
Base-Base interactions energy: -197.330
where: short stacking energy: -97.195
Base-Backbone interact. energy: -0.729
local terms energy: -110.101814
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -29.188
Dist. restrs. and SS energy: 0.021 (S_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: 449
Temperature: 1.100000
Total energy: -289.562184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.562184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.775043 (E_RNA)
where:
Base-Base interactions energy: -196.427
where: short stacking energy: -93.381
Base-Backbone interact. energy: -0.008
local terms energy: -93.340459
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -247.285194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.285194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.457212 (E_RNA)
where:
Base-Base interactions energy: -149.064
where: short stacking energy: -79.463
Base-Backbone interact. energy: -0.187
local terms energy: -98.206121
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -254.187011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.187011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.423020 (E_RNA)
where:
Base-Base interactions energy: -161.626
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.600
local terms energy: -92.196911
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -254.810034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.810034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.947094 (E_RNA)
where:
Base-Base interactions energy: -169.077
where: short stacking energy: -83.176
Base-Backbone interact. energy: -0.159
local terms energy: -85.711255
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -235.374787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.374787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.577918 (E_RNA)
where:
Base-Base interactions energy: -156.898
where: short stacking energy: -78.863
Base-Backbone interact. energy: -0.230
local terms energy: -78.450841
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.203 (S_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: -240.538471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.538471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.646392 (E_RNA)
where:
Base-Base interactions energy: -148.614
where: short stacking energy: -72.100
Base-Backbone interact. energy: -0.085
local terms energy: -91.947185
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.108 (S_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: 450
Temperature: 0.900000
Total energy: -354.264219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.264219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.373030 (E_RNA)
where:
Base-Base interactions energy: -235.844
where: short stacking energy: -104.005
Base-Backbone interact. energy: -0.216
local terms energy: -118.313217
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -318.697951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.697951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.673481 (E_RNA)
where:
Base-Base interactions energy: -215.329
where: short stacking energy: -95.202
Base-Backbone interact. energy: -0.115
local terms energy: -104.229752
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -29.530
Dist. restrs. and SS energy: 0.976 (S_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: 450
Temperature: 1.000000
Total energy: -313.070886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.070886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.133344 (E_RNA)
where:
Base-Base interactions energy: -211.294
where: short stacking energy: -90.140
Base-Backbone interact. energy: -0.126
local terms energy: -101.713914
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -25.406
Dist. restrs. and SS energy: 0.062 (S_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: 450
Temperature: 1.050000
Total energy: -313.399768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.399768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.626112 (E_RNA)
where:
Base-Base interactions energy: -205.997
where: short stacking energy: -105.001
Base-Backbone interact. energy: -0.007
local terms energy: -108.622472
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -31.912
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -262.261625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.261625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.345371 (E_RNA)
where:
Base-Base interactions energy: -166.761
where: short stacking energy: -84.722
Base-Backbone interact. energy: 0.771
local terms energy: -96.355291
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.084 (S_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: 450
Temperature: 1.150000
Total energy: -257.166320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.166320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.339086 (E_RNA)
where:
Base-Base interactions energy: -167.449
where: short stacking energy: -87.622
Base-Backbone interact. energy: -0.300
local terms energy: -89.590584
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.173 (S_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: 450
Temperature: 1.200000
Total energy: -256.832238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.832238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.873271 (E_RNA)
where:
Base-Base interactions energy: -157.175
where: short stacking energy: -73.120
Base-Backbone interact. energy: -0.366
local terms energy: -99.332192
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -254.944067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.944067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.997530 (E_RNA)
where:
Base-Base interactions energy: -169.676
where: short stacking energy: -80.073
Base-Backbone interact. energy: -0.139
local terms energy: -85.182790
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -232.901791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.901791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.091044 (E_RNA)
where:
Base-Base interactions energy: -137.432
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.251
local terms energy: -95.407616
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -213.417105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.417105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.608155 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.131
local terms energy: -75.593743
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.191 (S_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: 451
Temperature: 0.900000
Total energy: -332.718533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.718533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.728145 (E_RNA)
where:
Base-Base interactions energy: -231.086
where: short stacking energy: -108.383
Base-Backbone interact. energy: -0.105
local terms energy: -101.537185
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -32.368
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -325.224199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.224199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.224199 (E_RNA)
where:
Base-Base interactions energy: -219.001
where: short stacking energy: -107.934
Base-Backbone interact. energy: -0.011
local terms energy: -106.212794
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -31.479
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -314.754928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.754928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.164169 (E_RNA)
where:
Base-Base interactions energy: -213.922
where: short stacking energy: -99.051
Base-Backbone interact. energy: -0.169
local terms energy: -101.073124
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -29.213
Dist. restrs. and SS energy: 0.409 (S_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: 451
Temperature: 1.050000
Total energy: -315.800937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.800937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.921106 (E_RNA)
where:
Base-Base interactions energy: -212.203
where: short stacking energy: -95.411
Base-Backbone interact. energy: -0.148
local terms energy: -103.569449
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -254.214246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.214246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.231467 (E_RNA)
where:
Base-Base interactions energy: -158.695
where: short stacking energy: -72.522
Base-Backbone interact. energy: 0.017
local terms energy: -95.553848
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.017 (S_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: 451
Temperature: 1.150000
Total energy: -250.109562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.109562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.151896 (E_RNA)
where:
Base-Base interactions energy: -158.237
where: short stacking energy: -83.290
Base-Backbone interact. energy: -0.076
local terms energy: -91.839321
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -242.565811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.565811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.804834 (E_RNA)
where:
Base-Base interactions energy: -147.241
where: short stacking energy: -76.592
Base-Backbone interact. energy: -0.115
local terms energy: -95.449446
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -247.166595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.166595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.183584 (E_RNA)
where:
Base-Base interactions energy: -155.578
where: short stacking energy: -69.798
Base-Backbone interact. energy: -0.432
local terms energy: -91.173443
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -228.119401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.119401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.648953 (E_RNA)
where:
Base-Base interactions energy: -143.553
where: short stacking energy: -77.720
Base-Backbone interact. energy: -0.373
local terms energy: -84.723266
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -225.856780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.856780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.907116 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -73.396
Base-Backbone interact. energy: -0.530
local terms energy: -81.180811
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -341.701005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.701005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.712435 (E_RNA)
where:
Base-Base interactions energy: -221.387
where: short stacking energy: -103.553
Base-Backbone interact. energy: -0.018
local terms energy: -120.306761
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -30.557
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -329.701470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.701470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.814180 (E_RNA)
where:
Base-Base interactions energy: -216.483
where: short stacking energy: -105.206
Base-Backbone interact. energy: -0.081
local terms energy: -113.250585
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -31.802
Dist. restrs. and SS energy: 0.113 (S_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: 452
Temperature: 1.000000
Total energy: -310.944685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.944685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.007956 (E_RNA)
where:
Base-Base interactions energy: -214.012
where: short stacking energy: -98.075
Base-Backbone interact. energy: 1.841
local terms energy: -98.837776
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -26.772
Dist. restrs. and SS energy: 0.063 (S_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: 452
Temperature: 1.050000
Total energy: -318.748858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.748858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.856135 (E_RNA)
where:
Base-Base interactions energy: -214.796
where: short stacking energy: -106.734
Base-Backbone interact. energy: -0.029
local terms energy: -104.031511
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -30.520
Dist. restrs. and SS energy: 0.107 (S_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: -276.332481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.332481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.385873 (E_RNA)
where:
Base-Base interactions energy: -173.398
where: short stacking energy: -96.211
Base-Backbone interact. energy: -0.078
local terms energy: -102.909615
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -253.512460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.512460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.732595 (E_RNA)
where:
Base-Base interactions energy: -168.397
where: short stacking energy: -86.114
Base-Backbone interact. energy: -0.736
local terms energy: -84.599795
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -229.719364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.719364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.026441 (E_RNA)
where:
Base-Base interactions energy: -136.910
where: short stacking energy: -60.437
Base-Backbone interact. energy: 0.313
local terms energy: -93.429924
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. 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: -246.724042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.724042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.772205 (E_RNA)
where:
Base-Base interactions energy: -145.353
where: short stacking energy: -77.952
Base-Backbone interact. energy: -0.275
local terms energy: -101.144748
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.048 (S_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: 452
Temperature: 1.300000
Total energy: -239.572280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.572280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.582213 (E_RNA)
where:
Base-Base interactions energy: -150.022
where: short stacking energy: -73.538
Base-Backbone interact. energy: 0.158
local terms energy: -89.718512
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -232.347885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.347885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.439625 (E_RNA)
where:
Base-Base interactions energy: -141.205
where: short stacking energy: -67.854
Base-Backbone interact. energy: -0.806
local terms energy: -90.429139
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -341.666855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.666855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.734511 (E_RNA)
where:
Base-Base interactions energy: -232.701
where: short stacking energy: -108.580
Base-Backbone interact. energy: -0.053
local terms energy: -108.980812
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -26.841
Dist. restrs. and SS energy: 0.068 (S_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: 453
Temperature: 0.950000
Total energy: -325.238323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.238323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.462561 (E_RNA)
where:
Base-Base interactions energy: -215.037
where: short stacking energy: -104.503
Base-Backbone interact. energy: -0.004
local terms energy: -110.421311
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -29.815
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. 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: -329.061775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.061775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.093900 (E_RNA)
where:
Base-Base interactions energy: -217.050
where: short stacking energy: -108.392
Base-Backbone interact. energy: -0.016
local terms energy: -112.027821
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.032 (S_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: 453
Temperature: 1.050000
Total energy: -333.743953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.743953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.093273 (E_RNA)
where:
Base-Base interactions energy: -228.182
where: short stacking energy: -101.094
Base-Backbone interact. energy: -0.105
local terms energy: -105.806790
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -21.004
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -28.173
Dist. restrs. and SS energy: 0.349 (S_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: 453
Temperature: 1.100000
Total energy: -276.108162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.108162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.451207 (E_RNA)
where:
Base-Base interactions energy: -182.787
where: short stacking energy: -84.484
Base-Backbone interact. energy: -0.128
local terms energy: -93.537154
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -257.880299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.880299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.918273 (E_RNA)
where:
Base-Base interactions energy: -166.747
where: short stacking energy: -81.236
Base-Backbone interact. energy: -0.283
local terms energy: -90.887717
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.038 (S_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: 453
Temperature: 1.200000
Total energy: -253.419045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.419045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.650035 (E_RNA)
where:
Base-Base interactions energy: -169.748
where: short stacking energy: -73.404
Base-Backbone interact. energy: -0.203
local terms energy: -83.698440
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. 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: -255.887394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.887394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.980325 (E_RNA)
where:
Base-Base interactions energy: -171.219
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.359
local terms energy: -84.402669
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.093 (S_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: 453
Temperature: 1.300000
Total energy: -224.406764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.406764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.582888 (E_RNA)
where:
Base-Base interactions energy: -139.932
where: short stacking energy: -64.615
Base-Backbone interact. energy: -0.040
local terms energy: -84.611784
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -218.246900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.246900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496492 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -57.523
Base-Backbone interact. energy: -0.102
local terms energy: -71.564565
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -331.253470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.253470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.307734 (E_RNA)
where:
Base-Base interactions energy: -222.849
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.664
local terms energy: -107.794220
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.054 (S_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: 454
Temperature: 0.950000
Total energy: -335.590077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.590077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.140180 (E_RNA)
where:
Base-Base interactions energy: -225.666
where: short stacking energy: -102.162
Base-Backbone interact. energy: -0.361
local terms energy: -110.113111
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -316.976458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.976458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.557497 (E_RNA)
where:
Base-Base interactions energy: -210.002
where: short stacking energy: -102.000
Base-Backbone interact. energy: -0.043
local terms energy: -107.512448
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -31.826
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. 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: -326.415310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.415310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.528458 (E_RNA)
where:
Base-Base interactions energy: -224.175
where: short stacking energy: -105.677
Base-Backbone interact. energy: -0.091
local terms energy: -102.262345
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -267.132505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.132505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.132505 (E_RNA)
where:
Base-Base interactions energy: -169.105
where: short stacking energy: -92.710
Base-Backbone interact. energy: -0.010
local terms energy: -98.017824
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -261.873150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.873150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.042933 (E_RNA)
where:
Base-Base interactions energy: -166.443
where: short stacking energy: -74.404
Base-Backbone interact. energy: 0.165
local terms energy: -95.764395
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. 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: -251.390061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.390061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.398264 (E_RNA)
where:
Base-Base interactions energy: -159.553
where: short stacking energy: -78.694
Base-Backbone interact. energy: -0.095
local terms energy: -91.749616
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.008 (S_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: 454
Temperature: 1.250000
Total energy: -236.370069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.370069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.783044 (E_RNA)
where:
Base-Base interactions energy: -150.684
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.632
local terms energy: -85.466565
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -219.272663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.272663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.307086 (E_RNA)
where:
Base-Base interactions energy: -137.868
where: short stacking energy: -62.823
Base-Backbone interact. energy: 0.848
local terms energy: -82.287159
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -217.393436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.393436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.419060 (E_RNA)
where:
Base-Base interactions energy: -143.877
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.145
local terms energy: -73.396823
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -327.975595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.975595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.975595 (E_RNA)
where:
Base-Base interactions energy: -212.721
where: short stacking energy: -90.439
Base-Backbone interact. energy: -0.273
local terms energy: -114.982030
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -30.433
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: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -318.845811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.845811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.870767 (E_RNA)
where:
Base-Base interactions energy: -207.215
where: short stacking energy: -101.378
Base-Backbone interact. energy: -0.036
local terms energy: -111.619607
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -28.498
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -313.547562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.547562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.829938 (E_RNA)
where:
Base-Base interactions energy: -213.439
where: short stacking energy: -99.115
Base-Backbone interact. energy: -0.132
local terms energy: -100.258834
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -287.537275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.537275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.537275 (E_RNA)
where:
Base-Base interactions energy: -186.720
where: short stacking energy: -81.235
Base-Backbone interact. energy: -0.148
local terms energy: -100.669101
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -261.570554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.570554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.633153 (E_RNA)
where:
Base-Base interactions energy: -162.333
where: short stacking energy: -83.211
Base-Backbone interact. energy: 1.431
local terms energy: -100.731577
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.063 (S_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: -254.457357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.457357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.582043 (E_RNA)
where:
Base-Base interactions energy: -162.002
where: short stacking energy: -85.808
Base-Backbone interact. energy: -0.176
local terms energy: -92.403758
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.125 (S_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: 455
Temperature: 1.200000
Total energy: -235.082825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.082825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.240058 (E_RNA)
where:
Base-Base interactions energy: -157.599
where: short stacking energy: -71.103
Base-Backbone interact. energy: 0.141
local terms energy: -77.782040
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -237.975494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.975494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.978657 (E_RNA)
where:
Base-Base interactions energy: -152.352
where: short stacking energy: -72.980
Base-Backbone interact. energy: -0.154
local terms energy: -85.472833
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.003 (S_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: 455
Temperature: 1.300000
Total energy: -236.162826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.162826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.453035 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.478
local terms energy: -89.449837
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -220.186427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.186427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.225316 (E_RNA)
where:
Base-Base interactions energy: -138.954
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.158
local terms energy: -81.112735
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -335.201968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.201968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.841541 (E_RNA)
where:
Base-Base interactions energy: -212.706
where: short stacking energy: -98.399
Base-Backbone interact. energy: -0.542
local terms energy: -122.592746
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -30.012
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -331.908865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.908865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.129866 (E_RNA)
where:
Base-Base interactions energy: -227.020
where: short stacking energy: -103.104
Base-Backbone interact. energy: -0.785
local terms energy: -104.324961
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -316.586429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.586429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.626824 (E_RNA)
where:
Base-Base interactions energy: -210.575
where: short stacking energy: -103.534
Base-Backbone interact. energy: -0.003
local terms energy: -106.049524
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -318.612321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.612321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.671354 (E_RNA)
where:
Base-Base interactions energy: -217.979
where: short stacking energy: -94.620
Base-Backbone interact. energy: -0.246
local terms energy: -100.446179
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -272.944937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.944937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.961711 (E_RNA)
where:
Base-Base interactions energy: -167.375
where: short stacking energy: -86.827
Base-Backbone interact. energy: -0.149
local terms energy: -105.437193
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -26.117
Dist. restrs. and SS energy: 0.017 (S_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: -248.010943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.010943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.135694 (E_RNA)
where:
Base-Base interactions energy: -152.900
where: short stacking energy: -74.434
Base-Backbone interact. energy: -0.313
local terms energy: -94.922598
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -250.183749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.183749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.318869 (E_RNA)
where:
Base-Base interactions energy: -153.040
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.530
local terms energy: -96.748063
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -199.628352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.628352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.698595 (E_RNA)
where:
Base-Base interactions energy: -123.933
where: short stacking energy: -64.738
Base-Backbone interact. energy: -0.069
local terms energy: -75.695930
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.070 (S_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: 456
Temperature: 1.300000
Total energy: -240.590361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.590361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.849941 (E_RNA)
where:
Base-Base interactions energy: -142.230
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.897
local terms energy: -97.723017
where:
bonds (distance) C4'-P energy: -22.982
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.260 (S_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: 456
Temperature: 1.350000
Total energy: -231.634253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.634253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.690601 (E_RNA)
where:
Base-Base interactions energy: -162.349
where: short stacking energy: -61.701
Base-Backbone interact. energy: -1.410
local terms energy: -67.932244
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -326.496040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.496040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.579516 (E_RNA)
where:
Base-Base interactions energy: -213.944
where: short stacking energy: -99.337
Base-Backbone interact. energy: -0.409
local terms energy: -112.226438
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -27.456
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -336.611727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.611727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.611727 (E_RNA)
where:
Base-Base interactions energy: -222.259
where: short stacking energy: -106.916
Base-Backbone interact. energy: -0.244
local terms energy: -114.108952
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -327.769543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.769543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.821539 (E_RNA)
where:
Base-Base interactions energy: -214.603
where: short stacking energy: -107.810
Base-Backbone interact. energy: -0.009
local terms energy: -113.209924
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -31.265
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -317.554049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.554049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.706740 (E_RNA)
where:
Base-Base interactions energy: -211.012
where: short stacking energy: -97.987
Base-Backbone interact. energy: -0.245
local terms energy: -106.449291
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -30.114
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -265.408663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.408663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.091259 (E_RNA)
where:
Base-Base interactions energy: -174.784
where: short stacking energy: -80.318
Base-Backbone interact. energy: -0.266
local terms energy: -91.040492
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.683 (S_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: -248.537834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.537834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.726229 (E_RNA)
where:
Base-Base interactions energy: -169.348
where: short stacking energy: -78.803
Base-Backbone interact. energy: -1.397
local terms energy: -77.981439
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -248.362025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.362025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.382157 (E_RNA)
where:
Base-Base interactions energy: -153.856
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.186
local terms energy: -94.340882
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.020 (S_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: 457
Temperature: 1.250000
Total energy: -242.729957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.807396 (E_RNA)
where:
Base-Base interactions energy: -152.411
where: short stacking energy: -79.548
Base-Backbone interact. energy: -0.090
local terms energy: -90.306098
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -211.375800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.375800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.579597 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -63.114
Base-Backbone interact. energy: 1.916
local terms energy: -85.225871
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.204 (S_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: 457
Temperature: 1.350000
Total energy: -217.246222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.246222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.267364 (E_RNA)
where:
Base-Base interactions energy: -123.171
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.545
local terms energy: -93.551129
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.021 (S_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: 458
Temperature: 0.900000
Total energy: -343.866947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.866947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.930574 (E_RNA)
where:
Base-Base interactions energy: -233.238
where: short stacking energy: -118.258
Base-Backbone interact. energy: -0.062
local terms energy: -110.630783
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -34.113
Dist. restrs. and SS energy: 0.064 (S_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: 458
Temperature: 0.950000
Total energy: -315.558216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.558216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.643434 (E_RNA)
where:
Base-Base interactions energy: -211.309
where: short stacking energy: -99.343
Base-Backbone interact. energy: -0.052
local terms energy: -104.282308
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -318.617783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.617783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.659765 (E_RNA)
where:
Base-Base interactions energy: -207.567
where: short stacking energy: -101.352
Base-Backbone interact. energy: -0.235
local terms energy: -110.857385
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -305.457809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.457809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.511067 (E_RNA)
where:
Base-Base interactions energy: -195.637
where: short stacking energy: -91.705
Base-Backbone interact. energy: -0.113
local terms energy: -109.760922
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -263.673759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.673759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.691018 (E_RNA)
where:
Base-Base interactions energy: -174.725
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.313
local terms energy: -88.652795
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.017 (S_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: -244.943242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.943242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.035152 (E_RNA)
where:
Base-Base interactions energy: -168.089
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.235
local terms energy: -76.711233
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.092 (S_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: 458
Temperature: 1.200000
Total energy: -239.093800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.093800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.130981 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.324
local terms energy: -91.489794
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -238.578335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.578335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.578335 (E_RNA)
where:
Base-Base interactions energy: -157.181
where: short stacking energy: -74.826
Base-Backbone interact. energy: -0.092
local terms energy: -81.305303
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -227.317608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.317608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.370101 (E_RNA)
where:
Base-Base interactions energy: -144.737
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.893
local terms energy: -81.740585
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -207.529066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.529066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.651775 (E_RNA)
where:
Base-Base interactions energy: -125.326
where: short stacking energy: -57.233
Base-Backbone interact. energy: -0.097
local terms energy: -82.228582
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.123 (S_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: 459
Temperature: 0.900000
Total energy: -347.605289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.605289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.846699 (E_RNA)
where:
Base-Base interactions energy: -236.510
where: short stacking energy: -110.144
Base-Backbone interact. energy: -0.701
local terms energy: -110.635818
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -323.851436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.851436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.277410 (E_RNA)
where:
Base-Base interactions energy: -214.881
where: short stacking energy: -97.947
Base-Backbone interact. energy: -0.653
local terms energy: -108.743845
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.426 (S_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: 459
Temperature: 1.000000
Total energy: -322.671887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.671887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.695581 (E_RNA)
where:
Base-Base interactions energy: -215.133
where: short stacking energy: -97.628
Base-Backbone interact. energy: -0.166
local terms energy: -107.396766
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -25.761
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -312.527592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.527592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.614601 (E_RNA)
where:
Base-Base interactions energy: -210.916
where: short stacking energy: -95.228
Base-Backbone interact. energy: -0.215
local terms energy: -101.484214
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.087 (S_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: 459
Temperature: 1.100000
Total energy: -308.972714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.972714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.177147 (E_RNA)
where:
Base-Base interactions energy: -206.181
where: short stacking energy: -93.742
Base-Backbone interact. energy: -0.066
local terms energy: -102.930391
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.204 (S_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: -244.366953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.366953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.462946 (E_RNA)
where:
Base-Base interactions energy: -156.155
where: short stacking energy: -72.977
Base-Backbone interact. energy: -0.396
local terms energy: -87.912181
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.096 (S_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: 459
Temperature: 1.200000
Total energy: -248.941222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.941222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.009722 (E_RNA)
where:
Base-Base interactions energy: -161.624
where: short stacking energy: -77.547
Base-Backbone interact. energy: -0.313
local terms energy: -87.071925
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.068 (S_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: 459
Temperature: 1.250000
Total energy: -230.757647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.757647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.762220 (E_RNA)
where:
Base-Base interactions energy: -145.481
where: short stacking energy: -67.538
Base-Backbone interact. energy: 0.986
local terms energy: -86.266697
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -221.612604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.612604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.940264 (E_RNA)
where:
Base-Base interactions energy: -129.320
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.149
local terms energy: -92.471002
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -226.163275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.163275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.236170 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -63.291
Base-Backbone interact. energy: -0.126
local terms energy: -85.424724
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -324.512740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.512740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.574094 (E_RNA)
where:
Base-Base interactions energy: -215.753
where: short stacking energy: -94.210
Base-Backbone interact. energy: -0.619
local terms energy: -108.201290
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -341.982452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.982452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.007026 (E_RNA)
where:
Base-Base interactions energy: -230.526
where: short stacking energy: -109.563
Base-Backbone interact. energy: -0.094
local terms energy: -111.387048
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -317.543397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.543397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.578306 (E_RNA)
where:
Base-Base interactions energy: -211.006
where: short stacking energy: -92.829
Base-Backbone interact. energy: -1.054
local terms energy: -105.518344
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.035 (S_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: 460
Temperature: 1.050000
Total energy: -308.509509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.509509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.564578 (E_RNA)
where:
Base-Base interactions energy: -207.789
where: short stacking energy: -94.126
Base-Backbone interact. energy: -0.139
local terms energy: -100.635916
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.055 (S_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: 460
Temperature: 1.100000
Total energy: -268.181695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.181695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.431017 (E_RNA)
where:
Base-Base interactions energy: -170.096
where: short stacking energy: -87.202
Base-Backbone interact. energy: -0.795
local terms energy: -97.539441
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.249 (S_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: 460
Temperature: 1.150000
Total energy: -302.748869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.068197 (E_RNA)
where:
Base-Base interactions energy: -199.233
where: short stacking energy: -94.239
Base-Backbone interact. energy: -0.245
local terms energy: -103.590578
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -30.209
Dist. restrs. and SS energy: 0.319 (S_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: 460
Temperature: 1.200000
Total energy: -257.794365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.794365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.938617 (E_RNA)
where:
Base-Base interactions energy: -158.431
where: short stacking energy: -86.001
Base-Backbone interact. energy: -0.173
local terms energy: -99.333941
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.144 (S_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: 460
Temperature: 1.250000
Total energy: -234.850891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.850891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.075583 (E_RNA)
where:
Base-Base interactions energy: -143.927
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.665
local terms energy: -90.483883
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -236.111036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.111036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.206348 (E_RNA)
where:
Base-Base interactions energy: -145.288
where: short stacking energy: -72.444
Base-Backbone interact. energy: -0.381
local terms energy: -90.537096
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -219.400184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.400184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.442844 (E_RNA)
where:
Base-Base interactions energy: -135.620
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.931
local terms energy: -82.890951
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -330.098048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.098048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.819307 (E_RNA)
where:
Base-Base interactions energy: -231.744
where: short stacking energy: -105.460
Base-Backbone interact. energy: -0.308
local terms energy: -98.767651
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.721 (S_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: 461
Temperature: 0.950000
Total energy: -333.987232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.987232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.011597 (E_RNA)
where:
Base-Base interactions energy: -216.725
where: short stacking energy: -98.030
Base-Backbone interact. energy: -0.069
local terms energy: -117.217707
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -27.570
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -318.970868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.970868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.970868 (E_RNA)
where:
Base-Base interactions energy: -211.288
where: short stacking energy: -99.177
Base-Backbone interact. energy: -0.096
local terms energy: -107.586822
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -29.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -305.967652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.967652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.997137 (E_RNA)
where:
Base-Base interactions energy: -212.842
where: short stacking energy: -85.383
Base-Backbone interact. energy: -0.451
local terms energy: -92.703768
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.029 (S_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: 461
Temperature: 1.100000
Total energy: -272.312433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.312433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.317603 (E_RNA)
where:
Base-Base interactions energy: -171.874
where: short stacking energy: -75.507
Base-Backbone interact. energy: -0.113
local terms energy: -100.330245
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -254.686670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.686670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.736557 (E_RNA)
where:
Base-Base interactions energy: -157.710
where: short stacking energy: -80.195
Base-Backbone interact. energy: -0.044
local terms energy: -96.982936
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.050 (S_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: 461
Temperature: 1.200000
Total energy: -288.191344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.191344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.509456 (E_RNA)
where:
Base-Base interactions energy: -190.665
where: short stacking energy: -84.084
Base-Backbone interact. energy: -0.052
local terms energy: -99.792531
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -28.320
Dist. restrs. and SS energy: 2.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -243.146526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.146526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.422011 (E_RNA)
where:
Base-Base interactions energy: -154.972
where: short stacking energy: -75.048
Base-Backbone interact. energy: 0.207
local terms energy: -88.656558
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -217.268228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.268228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.418138 (E_RNA)
where:
Base-Base interactions energy: -137.089
where: short stacking energy: -67.969
Base-Backbone interact. energy: -0.730
local terms energy: -79.599718
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -226.017959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.017959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148735 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.140
local terms energy: -76.555606
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -336.708936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.708936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.898304 (E_RNA)
where:
Base-Base interactions energy: -231.582
where: short stacking energy: -104.328
Base-Backbone interact. energy: -0.019
local terms energy: -105.297217
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -30.008
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -319.803312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.803312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.510119 (E_RNA)
where:
Base-Base interactions energy: -221.738
where: short stacking energy: -89.541
Base-Backbone interact. energy: -0.155
local terms energy: -98.617475
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.707 (S_DIST_RNA)
chem. 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: -327.915122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.915122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.915122 (E_RNA)
where:
Base-Base interactions energy: -226.908
where: short stacking energy: -112.852
Base-Backbone interact. energy: -1.062
local terms energy: -99.945258
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -14.436
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -302.764034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.764034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.070968 (E_RNA)
where:
Base-Base interactions energy: -214.142
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.141
local terms energy: -88.787141
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.307 (S_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: 462
Temperature: 1.100000
Total energy: -282.060691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.060691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.267090 (E_RNA)
where:
Base-Base interactions energy: -182.539
where: short stacking energy: -91.608
Base-Backbone interact. energy: -0.240
local terms energy: -99.487317
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -250.105150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.105150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.158002 (E_RNA)
where:
Base-Base interactions energy: -157.745
where: short stacking energy: -80.581
Base-Backbone interact. energy: 0.227
local terms energy: -92.639608
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.053 (S_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: 462
Temperature: 1.200000
Total energy: -299.894861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.894861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.950789 (E_RNA)
where:
Base-Base interactions energy: -200.160
where: short stacking energy: -90.744
Base-Backbone interact. energy: -0.212
local terms energy: -99.579344
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -242.184283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.184283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.202887 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -79.926
Base-Backbone interact. energy: -0.448
local terms energy: -89.564386
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -229.775576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.775576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.775576 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.082
local terms energy: -89.385122
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -21.707
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: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -211.471044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.471044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.485247 (E_RNA)
where:
Base-Base interactions energy: -129.966
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.305
local terms energy: -81.214829
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -338.307333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.307333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.320985 (E_RNA)
where:
Base-Base interactions energy: -227.180
where: short stacking energy: -101.403
Base-Backbone interact. energy: -0.190
local terms energy: -110.950836
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -321.364704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.364704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.563633 (E_RNA)
where:
Base-Base interactions energy: -212.199
where: short stacking energy: -101.643
Base-Backbone interact. energy: -0.133
local terms energy: -109.231434
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. 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: -333.356560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.356560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.472561 (E_RNA)
where:
Base-Base interactions energy: -221.800
where: short stacking energy: -114.241
Base-Backbone interact. energy: -0.002
local terms energy: -111.670262
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -34.660
Dist. restrs. and SS energy: 0.116 (S_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: 463
Temperature: 1.050000
Total energy: -316.604117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.604117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.639912 (E_RNA)
where:
Base-Base interactions energy: -216.858
where: short stacking energy: -88.691
Base-Backbone interact. energy: -0.218
local terms energy: -99.564506
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.036 (S_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: 463
Temperature: 1.100000
Total energy: -273.085732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.085732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.087746 (E_RNA)
where:
Base-Base interactions energy: -176.595
where: short stacking energy: -79.541
Base-Backbone interact. energy: 0.086
local terms energy: -96.579383
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.002 (S_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: 463
Temperature: 1.150000
Total energy: -288.536627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.536627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.564964 (E_RNA)
where:
Base-Base interactions energy: -200.668
where: short stacking energy: -83.400
Base-Backbone interact. energy: 2.739
local terms energy: -90.636798
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.028 (S_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: 463
Temperature: 1.200000
Total energy: -252.203907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.203907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.413893 (E_RNA)
where:
Base-Base interactions energy: -165.809
where: short stacking energy: -81.958
Base-Backbone interact. energy: -0.243
local terms energy: -86.362117
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -238.289842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.289842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.425559 (E_RNA)
where:
Base-Base interactions energy: -148.374
where: short stacking energy: -72.197
Base-Backbone interact. energy: -0.048
local terms energy: -90.003462
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -228.125527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.125527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.147537 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.314
local terms energy: -89.014724
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -211.902994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.219864 (E_RNA)
where:
Base-Base interactions energy: -131.920
where: short stacking energy: -60.160
Base-Backbone interact. energy: -1.015
local terms energy: -79.285259
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -326.939774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.939774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.980119 (E_RNA)
where:
Base-Base interactions energy: -220.913
where: short stacking energy: -105.842
Base-Backbone interact. energy: 1.756
local terms energy: -107.823163
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.040 (S_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: 464
Temperature: 0.950000
Total energy: -327.260870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.260870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.264048 (E_RNA)
where:
Base-Base interactions energy: -220.208
where: short stacking energy: -96.087
Base-Backbone interact. energy: -0.166
local terms energy: -106.889775
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -314.786006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.786006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.843667 (E_RNA)
where:
Base-Base interactions energy: -216.720
where: short stacking energy: -86.569
Base-Backbone interact. energy: -0.261
local terms energy: -97.862802
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -25.112
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. 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: -310.290748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.290748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.426091 (E_RNA)
where:
Base-Base interactions energy: -204.544
where: short stacking energy: -102.683
Base-Backbone interact. energy: 0.510
local terms energy: -106.391581
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.135 (S_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: 464
Temperature: 1.100000
Total energy: -296.760186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.760186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.768763 (E_RNA)
where:
Base-Base interactions energy: -192.677
where: short stacking energy: -88.816
Base-Backbone interact. energy: 0.488
local terms energy: -104.580271
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.009 (S_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: -268.485600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.485600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.599718 (E_RNA)
where:
Base-Base interactions energy: -177.289
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.565
local terms energy: -90.745611
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.114 (S_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: 464
Temperature: 1.200000
Total energy: -253.854422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.854422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.883951 (E_RNA)
where:
Base-Base interactions energy: -169.412
where: short stacking energy: -80.203
Base-Backbone interact. energy: -0.956
local terms energy: -83.515562
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -235.765348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.765348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.979161 (E_RNA)
where:
Base-Base interactions energy: -142.008
where: short stacking energy: -74.650
Base-Backbone interact. energy: -0.073
local terms energy: -93.898120
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -223.508815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.508815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.586161 (E_RNA)
where:
Base-Base interactions energy: -138.730
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.713
local terms energy: -84.143273
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -235.462489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.462489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.464129 (E_RNA)
where:
Base-Base interactions energy: -149.827
where: short stacking energy: -73.440
Base-Backbone interact. energy: -0.908
local terms energy: -84.728281
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -321.569158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.569158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.746883 (E_RNA)
where:
Base-Base interactions energy: -220.117
where: short stacking energy: -102.986
Base-Backbone interact. energy: -0.702
local terms energy: -100.927938
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.178 (S_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: 465
Temperature: 0.950000
Total energy: -322.422276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.422276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.511751 (E_RNA)
where:
Base-Base interactions energy: -214.662
where: short stacking energy: -103.810
Base-Backbone interact. energy: -0.003
local terms energy: -107.846997
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -27.548
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -310.169003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.169003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.388856 (E_RNA)
where:
Base-Base interactions energy: -202.673
where: short stacking energy: -90.693
Base-Backbone interact. energy: -0.595
local terms energy: -107.120736
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -27.392
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. 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: -320.100539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.100539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.119366 (E_RNA)
where:
Base-Base interactions energy: -210.297
where: short stacking energy: -96.973
Base-Backbone interact. energy: -0.098
local terms energy: -109.724015
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.019 (S_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: 465
Temperature: 1.100000
Total energy: -300.392095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.392095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.493656 (E_RNA)
where:
Base-Base interactions energy: -194.551
where: short stacking energy: -93.584
Base-Backbone interact. energy: -0.107
local terms energy: -105.835514
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -271.233022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.233022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.233022 (E_RNA)
where:
Base-Base interactions energy: -179.976
where: short stacking energy: -88.372
Base-Backbone interact. energy: -0.445
local terms energy: -90.812385
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -234.454774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.454774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.574572 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.593
local terms energy: -78.139147
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -239.780104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.780104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.924791 (E_RNA)
where:
Base-Base interactions energy: -155.609
where: short stacking energy: -82.643
Base-Backbone interact. energy: 0.619
local terms energy: -84.935112
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -230.590912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.590912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.894271 (E_RNA)
where:
Base-Base interactions energy: -154.836
where: short stacking energy: -78.853
Base-Backbone interact. energy: -0.157
local terms energy: -75.901140
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -225.832122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.832122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.879102 (E_RNA)
where:
Base-Base interactions energy: -144.917
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.632
local terms energy: -80.330536
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -334.976671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.976671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.070440 (E_RNA)
where:
Base-Base interactions energy: -222.016
where: short stacking energy: -112.866
Base-Backbone interact. energy: -0.003
local terms energy: -113.051525
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -33.743
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -325.202560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.202560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.233545 (E_RNA)
where:
Base-Base interactions energy: -222.869
where: short stacking energy: -104.607
Base-Backbone interact. energy: -0.144
local terms energy: -102.221078
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -26.943
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -319.269602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.269602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.383360 (E_RNA)
where:
Base-Base interactions energy: -225.393
where: short stacking energy: -103.311
Base-Backbone interact. energy: -0.150
local terms energy: -93.841182
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -27.885
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. 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: -303.613392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.613392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.652426 (E_RNA)
where:
Base-Base interactions energy: -205.468
where: short stacking energy: -103.034
Base-Backbone interact. energy: -0.104
local terms energy: -98.080206
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.039 (S_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: 466
Temperature: 1.100000
Total energy: -276.373993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.373993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.750019 (E_RNA)
where:
Base-Base interactions energy: -175.518
where: short stacking energy: -88.414
Base-Backbone interact. energy: -0.201
local terms energy: -101.030960
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -25.937
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -273.941981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.941981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.100722 (E_RNA)
where:
Base-Base interactions energy: -179.166
where: short stacking energy: -73.242
Base-Backbone interact. energy: -0.326
local terms energy: -94.608740
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -238.532392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.532392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.651800 (E_RNA)
where:
Base-Base interactions energy: -155.203
where: short stacking energy: -75.811
Base-Backbone interact. energy: 1.693
local terms energy: -85.141719
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -236.147095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.147095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.838092 (E_RNA)
where:
Base-Base interactions energy: -156.121
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.113
local terms energy: -80.604538
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -225.286832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.286832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487222 (E_RNA)
where:
Base-Base interactions energy: -140.762
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.111
local terms energy: -84.613894
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -224.229228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.229228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.229228 (E_RNA)
where:
Base-Base interactions energy: -140.132
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.718
local terms energy: -83.379305
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -15.906
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -342.438516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.438516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.447766 (E_RNA)
where:
Base-Base interactions energy: -227.205
where: short stacking energy: -103.810
Base-Backbone interact. energy: -0.167
local terms energy: -115.076430
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -31.077
Dist. restrs. and SS energy: 0.009 (S_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: 467
Temperature: 0.950000
Total energy: -327.938515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.938515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057489 (E_RNA)
where:
Base-Base interactions energy: -223.902
where: short stacking energy: -94.152
Base-Backbone interact. energy: -0.282
local terms energy: -103.872681
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -320.117386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.117386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.117386 (E_RNA)
where:
Base-Base interactions energy: -226.077
where: short stacking energy: -103.151
Base-Backbone interact. energy: -0.391
local terms energy: -93.649636
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -29.806
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: 467
Temperature: 1.050000
Total energy: -319.473126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.473126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.571036 (E_RNA)
where:
Base-Base interactions energy: -216.801
where: short stacking energy: -106.573
Base-Backbone interact. energy: -0.098
local terms energy: -102.671542
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -30.083
Dist. restrs. and SS energy: 0.098 (S_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: 467
Temperature: 1.100000
Total energy: -264.808251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.808251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.867320 (E_RNA)
where:
Base-Base interactions energy: -168.483
where: short stacking energy: -93.552
Base-Backbone interact. energy: -0.161
local terms energy: -96.223219
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -252.618822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.618822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.816274 (E_RNA)
where:
Base-Base interactions energy: -160.069
where: short stacking energy: -85.250
Base-Backbone interact. energy: -0.091
local terms energy: -92.656075
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -251.067541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.067541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.257576 (E_RNA)
where:
Base-Base interactions energy: -168.086
where: short stacking energy: -71.313
Base-Backbone interact. energy: -1.295
local terms energy: -81.876560
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -243.799993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.799993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.218902 (E_RNA)
where:
Base-Base interactions energy: -146.205
where: short stacking energy: -74.777
Base-Backbone interact. energy: -0.193
local terms energy: -97.821419
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -231.042888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.042888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.292075 (E_RNA)
where:
Base-Base interactions energy: -144.404
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.195
local terms energy: -86.692747
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -227.923205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.923205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.070983 (E_RNA)
where:
Base-Base interactions energy: -140.794
where: short stacking energy: -72.233
Base-Backbone interact. energy: -0.159
local terms energy: -87.118300
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -327.220256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.220256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.220256 (E_RNA)
where:
Base-Base interactions energy: -216.477
where: short stacking energy: -100.776
Base-Backbone interact. energy: -0.323
local terms energy: -110.419745
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -27.209
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: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -332.264362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.264362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.391204 (E_RNA)
where:
Base-Base interactions energy: -214.791
where: short stacking energy: -102.244
Base-Backbone interact. energy: -0.095
local terms energy: -117.505525
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -30.288
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. 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: -328.364421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.364421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.707644 (E_RNA)
where:
Base-Base interactions energy: -220.341
where: short stacking energy: -102.323
Base-Backbone interact. energy: -0.067
local terms energy: -108.300083
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -322.201290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.201290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.230962 (E_RNA)
where:
Base-Base interactions energy: -223.080
where: short stacking energy: -91.019
Base-Backbone interact. energy: -0.203
local terms energy: -98.947457
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.030 (S_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: 468
Temperature: 1.100000
Total energy: -263.042746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.042746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.165518 (E_RNA)
where:
Base-Base interactions energy: -162.082
where: short stacking energy: -98.229
Base-Backbone interact. energy: -0.084
local terms energy: -100.999661
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -28.320
Dist. restrs. and SS energy: 0.123 (S_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: 468
Temperature: 1.150000
Total energy: -266.807451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.807451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.919066 (E_RNA)
where:
Base-Base interactions energy: -178.619
where: short stacking energy: -85.057
Base-Backbone interact. energy: -0.091
local terms energy: -88.208890
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -263.446106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.446106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.755399 (E_RNA)
where:
Base-Base interactions energy: -165.728
where: short stacking energy: -84.029
Base-Backbone interact. energy: -0.096
local terms energy: -97.932186
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -225.369077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.369077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.472497 (E_RNA)
where:
Base-Base interactions energy: -144.005
where: short stacking energy: -70.562
Base-Backbone interact. energy: 1.153
local terms energy: -82.620141
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -237.653688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.653688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.815304 (E_RNA)
where:
Base-Base interactions energy: -144.003
where: short stacking energy: -70.870
Base-Backbone interact. energy: -0.021
local terms energy: -93.791527
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -223.219697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.219697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.257979 (E_RNA)
where:
Base-Base interactions energy: -135.796
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.569
local terms energy: -86.893032
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -331.572742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.572742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.572742 (E_RNA)
where:
Base-Base interactions energy: -227.372
where: short stacking energy: -98.227
Base-Backbone interact. energy: -0.205
local terms energy: -103.996189
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -333.224039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.224039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.263396 (E_RNA)
where:
Base-Base interactions energy: -217.483
where: short stacking energy: -106.680
Base-Backbone interact. energy: -0.145
local terms energy: -115.635762
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -29.358
Dist. restrs. and SS energy: 0.039 (S_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: 469
Temperature: 1.000000
Total energy: -324.428632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.428632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.468248 (E_RNA)
where:
Base-Base interactions energy: -220.057
where: short stacking energy: -97.730
Base-Backbone interact. energy: -0.206
local terms energy: -104.205728
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -318.131629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.131629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.156310 (E_RNA)
where:
Base-Base interactions energy: -220.561
where: short stacking energy: -103.666
Base-Backbone interact. energy: -0.771
local terms energy: -96.824222
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 0.025 (S_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: 469
Temperature: 1.100000
Total energy: -276.215760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.215760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.216714 (E_RNA)
where:
Base-Base interactions energy: -172.695
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.162
local terms energy: -103.360267
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.001 (S_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: 469
Temperature: 1.150000
Total energy: -263.378046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.378046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.722820 (E_RNA)
where:
Base-Base interactions energy: -164.277
where: short stacking energy: -78.139
Base-Backbone interact. energy: -0.043
local terms energy: -99.402482
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.345 (S_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: 469
Temperature: 1.200000
Total energy: -251.340249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.340249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.386240 (E_RNA)
where:
Base-Base interactions energy: -162.299
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.930
local terms energy: -88.157439
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -239.156115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.156115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.510912 (E_RNA)
where:
Base-Base interactions energy: -153.587
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.606
local terms energy: -85.317786
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -228.772607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.772607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.350816 (E_RNA)
where:
Base-Base interactions energy: -138.096
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.866
local terms energy: -90.388587
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -220.028789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.028789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276810 (E_RNA)
where:
Base-Base interactions energy: -145.089
where: short stacking energy: -71.176
Base-Backbone interact. energy: 1.167
local terms energy: -76.355158
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.248 (S_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: 470
Temperature: 0.900000
Total energy: -328.916465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.916465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.936328 (E_RNA)
where:
Base-Base interactions energy: -221.302
where: short stacking energy: -103.292
Base-Backbone interact. energy: -0.123
local terms energy: -107.511315
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.020 (S_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: 470
Temperature: 0.950000
Total energy: -326.936527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.936527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.061122 (E_RNA)
where:
Base-Base interactions energy: -213.896
where: short stacking energy: -99.662
Base-Backbone interact. energy: 0.307
local terms energy: -113.471641
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -306.408136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.408136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.432125 (E_RNA)
where:
Base-Base interactions energy: -199.945
where: short stacking energy: -91.762
Base-Backbone interact. energy: -0.054
local terms energy: -106.433908
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -309.523898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.523898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.572017 (E_RNA)
where:
Base-Base interactions energy: -206.148
where: short stacking energy: -95.392
Base-Backbone interact. energy: -0.210
local terms energy: -103.214652
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.048 (S_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: 470
Temperature: 1.100000
Total energy: -266.024405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.024405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.067330 (E_RNA)
where:
Base-Base interactions energy: -161.777
where: short stacking energy: -80.484
Base-Backbone interact. energy: -0.082
local terms energy: -104.208201
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -25.154
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -257.716153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.716153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.762765 (E_RNA)
where:
Base-Base interactions energy: -173.178
where: short stacking energy: -75.229
Base-Backbone interact. energy: 0.471
local terms energy: -85.055794
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -247.002425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.002425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.054636 (E_RNA)
where:
Base-Base interactions energy: -148.089
where: short stacking energy: -69.041
Base-Backbone interact. energy: 0.370
local terms energy: -99.335439
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.052 (S_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: 470
Temperature: 1.250000
Total energy: -234.338716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.338716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.561047 (E_RNA)
where:
Base-Base interactions energy: -145.764
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.418
local terms energy: -88.379314
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -231.007690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.007690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.405319 (E_RNA)
where:
Base-Base interactions energy: -148.958
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.607
local terms energy: -81.840386
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -224.206790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.206790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.391204 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -77.439
Base-Backbone interact. energy: 0.134
local terms energy: -80.151315
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.184 (S_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: 471
Temperature: 0.900000
Total energy: -326.995946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.995946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.013447 (E_RNA)
where:
Base-Base interactions energy: -217.286
where: short stacking energy: -109.055
Base-Backbone interact. energy: -0.019
local terms energy: -109.708445
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -28.894
Dist. restrs. and SS energy: 0.018 (S_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: 471
Temperature: 0.950000
Total energy: -329.331356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.331356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.354043 (E_RNA)
where:
Base-Base interactions energy: -220.118
where: short stacking energy: -112.542
Base-Backbone interact. energy: -0.099
local terms energy: -109.137566
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -32.991
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -307.499618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.499618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.499618 (E_RNA)
where:
Base-Base interactions energy: -209.271
where: short stacking energy: -94.636
Base-Backbone interact. energy: 1.216
local terms energy: -99.444419
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -309.224673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.224673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.569410 (E_RNA)
where:
Base-Base interactions energy: -210.760
where: short stacking energy: -94.927
Base-Backbone interact. energy: -0.288
local terms energy: -98.520456
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -25.167
Dist. restrs. and SS energy: 0.345 (S_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: 471
Temperature: 1.100000
Total energy: -304.040725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.040725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.132517 (E_RNA)
where:
Base-Base interactions energy: -199.499
where: short stacking energy: -98.382
Base-Backbone interact. energy: -0.003
local terms energy: -104.630443
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -29.777
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -271.254665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.254665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.277010 (E_RNA)
where:
Base-Base interactions energy: -165.795
where: short stacking energy: -84.329
Base-Backbone interact. energy: -0.099
local terms energy: -105.383202
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -236.176746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.176746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.186986 (E_RNA)
where:
Base-Base interactions energy: -142.780
where: short stacking energy: -66.313
Base-Backbone interact. energy: 0.129
local terms energy: -93.536059
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.010 (S_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: 471
Temperature: 1.250000
Total energy: -237.122001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.122001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.346922 (E_RNA)
where:
Base-Base interactions energy: -158.011
where: short stacking energy: -65.062
Base-Backbone interact. energy: 0.872
local terms energy: -80.208050
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.225 (S_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: 471
Temperature: 1.300000
Total energy: -225.184118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.184118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.428747 (E_RNA)
where:
Base-Base interactions energy: -137.224
where: short stacking energy: -74.476
Base-Backbone interact. energy: -0.001
local terms energy: -88.204458
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -208.717037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.717037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.955461 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.580
local terms energy: -79.742739
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.238 (S_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: 472
Temperature: 0.900000
Total energy: -342.837999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.837999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.879718 (E_RNA)
where:
Base-Base interactions energy: -224.727
where: short stacking energy: -105.308
Base-Backbone interact. energy: -0.203
local terms energy: -117.950280
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: 0.042 (S_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: 472
Temperature: 0.950000
Total energy: -326.870538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.870538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.935706 (E_RNA)
where:
Base-Base interactions energy: -220.870
where: short stacking energy: -105.253
Base-Backbone interact. energy: -0.321
local terms energy: -105.744281
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.065 (S_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: 472
Temperature: 1.000000
Total energy: -315.282485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.282485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.473437 (E_RNA)
where:
Base-Base interactions energy: -213.972
where: short stacking energy: -102.698
Base-Backbone interact. energy: -0.260
local terms energy: -101.241942
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -312.087177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.087177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.092909 (E_RNA)
where:
Base-Base interactions energy: -208.037
where: short stacking energy: -98.495
Base-Backbone interact. energy: -0.010
local terms energy: -104.045752
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.006 (S_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: 472
Temperature: 1.100000
Total energy: -306.151574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.151574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.152569 (E_RNA)
where:
Base-Base interactions energy: -213.574
where: short stacking energy: -94.316
Base-Backbone interact. energy: 0.031
local terms energy: -92.609928
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -269.881902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.881902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.918154 (E_RNA)
where:
Base-Base interactions energy: -176.286
where: short stacking energy: -79.497
Base-Backbone interact. energy: -0.838
local terms energy: -92.794170
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.036 (S_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: 472
Temperature: 1.200000
Total energy: -256.244331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.244331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.386833 (E_RNA)
where:
Base-Base interactions energy: -161.350
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.489
local terms energy: -94.548219
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -230.233835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.233835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.361256 (E_RNA)
where:
Base-Base interactions energy: -142.868
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.078
local terms energy: -87.415223
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.127 (S_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: 472
Temperature: 1.300000
Total energy: -232.464525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.464525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.464525 (E_RNA)
where:
Base-Base interactions energy: -146.077
where: short stacking energy: -57.991
Base-Backbone interact. energy: 1.247
local terms energy: -87.634257
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -240.399204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.399204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.411979 (E_RNA)
where:
Base-Base interactions energy: -146.242
where: short stacking energy: -77.837
Base-Backbone interact. energy: -0.094
local terms energy: -94.076113
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.013 (S_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: 473
Temperature: 0.900000
Total energy: -330.898566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.898566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.922797 (E_RNA)
where:
Base-Base interactions energy: -218.811
where: short stacking energy: -109.124
Base-Backbone interact. energy: -0.088
local terms energy: -112.023788
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.024 (S_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: 473
Temperature: 0.950000
Total energy: -317.915842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.915842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.069587 (E_RNA)
where:
Base-Base interactions energy: -214.706
where: short stacking energy: -106.819
Base-Backbone interact. energy: -0.064
local terms energy: -103.299552
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -29.330
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -329.787510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.787510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.325205 (E_RNA)
where:
Base-Base interactions energy: -217.717
where: short stacking energy: -93.925
Base-Backbone interact. energy: -0.247
local terms energy: -112.361426
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -27.054
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -315.495953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.495953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.523855 (E_RNA)
where:
Base-Base interactions energy: -210.733
where: short stacking energy: -100.855
Base-Backbone interact. energy: -0.764
local terms energy: -104.026714
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -32.723
Dist. restrs. and SS energy: 0.028 (S_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: 473
Temperature: 1.100000
Total energy: -323.788576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.788576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.793420 (E_RNA)
where:
Base-Base interactions energy: -219.400
where: short stacking energy: -103.907
Base-Backbone interact. energy: -0.071
local terms energy: -104.322344
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -31.017
Dist. restrs. and SS energy: 0.005 (S_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: 473
Temperature: 1.150000
Total energy: -288.940051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.940051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.236508 (E_RNA)
where:
Base-Base interactions energy: -186.750
where: short stacking energy: -93.179
Base-Backbone interact. energy: -0.144
local terms energy: -102.342994
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -261.903815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.903815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.903815 (E_RNA)
where:
Base-Base interactions energy: -173.124
where: short stacking energy: -75.122
Base-Backbone interact. energy: -0.153
local terms energy: -88.626267
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -18.871
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: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -242.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.481299 (E_RNA)
where:
Base-Base interactions energy: -153.178
where: short stacking energy: -82.022
Base-Backbone interact. energy: -0.290
local terms energy: -89.013184
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -215.916395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.916395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170627 (E_RNA)
where:
Base-Base interactions energy: -136.643
where: short stacking energy: -68.442
Base-Backbone interact. energy: 0.186
local terms energy: -79.714015
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -218.056887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.056887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.089027 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -64.765
Base-Backbone interact. energy: 2.817
local terms energy: -84.209495
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -331.248005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.248005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.375067 (E_RNA)
where:
Base-Base interactions energy: -215.773
where: short stacking energy: -108.471
Base-Backbone interact. energy: -0.088
local terms energy: -115.514145
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -32.162
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -328.746254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.746254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.766496 (E_RNA)
where:
Base-Base interactions energy: -222.402
where: short stacking energy: -100.229
Base-Backbone interact. energy: 0.029
local terms energy: -106.393702
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -27.188
Dist. restrs. and SS energy: 0.020 (S_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: 474
Temperature: 1.000000
Total energy: -305.272917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.272917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.489135 (E_RNA)
where:
Base-Base interactions energy: -202.596
where: short stacking energy: -93.875
Base-Backbone interact. energy: -0.128
local terms energy: -102.765443
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -26.185
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -307.265656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.265656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.809292 (E_RNA)
where:
Base-Base interactions energy: -205.006
where: short stacking energy: -100.091
Base-Backbone interact. energy: -0.057
local terms energy: -102.746428
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.544 (S_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: 474
Temperature: 1.100000
Total energy: -313.410015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.410015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.494193 (E_RNA)
where:
Base-Base interactions energy: -215.343
where: short stacking energy: -92.747
Base-Backbone interact. energy: -0.507
local terms energy: -97.644456
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -29.813
Dist. restrs. and SS energy: 0.084 (S_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: 474
Temperature: 1.150000
Total energy: -306.593169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.593169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.860891 (E_RNA)
where:
Base-Base interactions energy: -204.252
where: short stacking energy: -90.243
Base-Backbone interact. energy: -0.289
local terms energy: -102.320079
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -245.585624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.585624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.679106 (E_RNA)
where:
Base-Base interactions energy: -159.975
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.094
local terms energy: -85.609494
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.093 (S_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: 474
Temperature: 1.250000
Total energy: -244.580304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.580304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.697165 (E_RNA)
where:
Base-Base interactions energy: -160.092
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.117
local terms energy: -84.488669
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -223.283236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.283236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.444526 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.298
local terms energy: -77.648391
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -218.184380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.184380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.231302 (E_RNA)
where:
Base-Base interactions energy: -136.314
where: short stacking energy: -58.413
Base-Backbone interact. energy: 2.896
local terms energy: -84.813522
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -348.912328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.912328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.915616 (E_RNA)
where:
Base-Base interactions energy: -226.469
where: short stacking energy: -106.808
Base-Backbone interact. energy: -0.002
local terms energy: -122.444533
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -34.557
Dist. restrs. and SS energy: 0.003 (S_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: 475
Temperature: 0.950000
Total energy: -326.840256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.840256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.925877 (E_RNA)
where:
Base-Base interactions energy: -212.932
where: short stacking energy: -97.096
Base-Backbone interact. energy: -0.084
local terms energy: -113.910705
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -28.759
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. 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: -317.046318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.046318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.118941 (E_RNA)
where:
Base-Base interactions energy: -213.822
where: short stacking energy: -94.481
Base-Backbone interact. energy: -0.206
local terms energy: -103.090602
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.073 (S_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: 475
Temperature: 1.050000
Total energy: -315.150804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.150804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.253031 (E_RNA)
where:
Base-Base interactions energy: -213.309
where: short stacking energy: -96.744
Base-Backbone interact. energy: -0.066
local terms energy: -101.878617
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -29.235
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -307.599392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.599392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.649536 (E_RNA)
where:
Base-Base interactions energy: -204.153
where: short stacking energy: -91.052
Base-Backbone interact. energy: -0.413
local terms energy: -103.084232
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -26.322
Dist. restrs. and SS energy: 0.050 (S_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: 475
Temperature: 1.150000
Total energy: -277.425233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.425233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.483715 (E_RNA)
where:
Base-Base interactions energy: -179.670
where: short stacking energy: -91.733
Base-Backbone interact. energy: -0.101
local terms energy: -97.712665
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -241.949233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.949233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.078513 (E_RNA)
where:
Base-Base interactions energy: -158.658
where: short stacking energy: -69.038
Base-Backbone interact. energy: 2.486
local terms energy: -85.906269
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.129 (S_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: 475
Temperature: 1.250000
Total energy: -251.268700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.268700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.296097 (E_RNA)
where:
Base-Base interactions energy: -157.188
where: short stacking energy: -77.009
Base-Backbone interact. energy: -0.488
local terms energy: -93.620869
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -219.836381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.836381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.955471 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.508
local terms energy: -83.127969
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -213.592232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.592232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.626028 (E_RNA)
where:
Base-Base interactions energy: -130.272
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.082
local terms energy: -83.272352
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -345.229712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.229712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.240194 (E_RNA)
where:
Base-Base interactions energy: -228.525
where: short stacking energy: -100.374
Base-Backbone interact. energy: -0.008
local terms energy: -116.707420
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -30.952
Dist. restrs. and SS energy: 0.010 (S_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: 476
Temperature: 0.950000
Total energy: -330.459094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.459094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.537698 (E_RNA)
where:
Base-Base interactions energy: -218.112
where: short stacking energy: -99.708
Base-Backbone interact. energy: -0.081
local terms energy: -112.344352
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -27.535
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. 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: -316.466927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.466927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.935266 (E_RNA)
where:
Base-Base interactions energy: -209.976
where: short stacking energy: -94.586
Base-Backbone interact. energy: -0.056
local terms energy: -106.903255
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -299.151869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.151869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.153318 (E_RNA)
where:
Base-Base interactions energy: -202.266
where: short stacking energy: -86.937
Base-Backbone interact. energy: 0.731
local terms energy: -97.619067
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -23.136
Dist. restrs. and SS energy: 0.001 (S_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: 476
Temperature: 1.100000
Total energy: -261.499767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.499767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.525508 (E_RNA)
where:
Base-Base interactions energy: -162.999
where: short stacking energy: -83.265
Base-Backbone interact. energy: 0.203
local terms energy: -98.729591
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -299.707967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.707967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.732408 (E_RNA)
where:
Base-Base interactions energy: -189.936
where: short stacking energy: -90.179
Base-Backbone interact. energy: -0.082
local terms energy: -109.714253
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.024 (S_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: 476
Temperature: 1.200000
Total energy: -249.857282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.857282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.000963 (E_RNA)
where:
Base-Base interactions energy: -154.145
where: short stacking energy: -79.492
Base-Backbone interact. energy: -0.075
local terms energy: -95.780852
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -236.628092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.628092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.653690 (E_RNA)
where:
Base-Base interactions energy: -147.175
where: short stacking energy: -70.838
Base-Backbone interact. energy: 0.054
local terms energy: -89.532853
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -229.094560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.094560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.256796 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.104
local terms energy: -88.971237
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -200.934020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.934020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.216989 (E_RNA)
where:
Base-Base interactions energy: -118.493
where: short stacking energy: -53.894
Base-Backbone interact. energy: 1.303
local terms energy: -84.026730
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -347.137336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.137336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.145270 (E_RNA)
where:
Base-Base interactions energy: -241.762
where: short stacking energy: -110.704
Base-Backbone interact. energy: -0.385
local terms energy: -104.998012
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -28.333
Dist. restrs. and SS energy: 0.008 (S_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: 477
Temperature: 0.950000
Total energy: -337.069173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.069173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.231420 (E_RNA)
where:
Base-Base interactions energy: -220.511
where: short stacking energy: -100.530
Base-Backbone interact. energy: -0.280
local terms energy: -116.439875
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -28.633
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. 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: -310.741992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.741992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.146639 (E_RNA)
where:
Base-Base interactions energy: -207.160
where: short stacking energy: -100.801
Base-Backbone interact. energy: -0.403
local terms energy: -103.583438
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 0.405 (S_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: 477
Temperature: 1.050000
Total energy: -276.786882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.786882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.832990 (E_RNA)
where:
Base-Base interactions energy: -172.995
where: short stacking energy: -93.562
Base-Backbone interact. energy: -0.098
local terms energy: -103.739687
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -276.197280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.197280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.234945 (E_RNA)
where:
Base-Base interactions energy: -177.771
where: short stacking energy: -89.756
Base-Backbone interact. energy: -0.710
local terms energy: -97.754724
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -25.599
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -235.048978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.048978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.156942 (E_RNA)
where:
Base-Base interactions energy: -153.353
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.173
local terms energy: -81.630521
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.108 (S_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: 477
Temperature: 1.200000
Total energy: -272.552179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.552179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.707195 (E_RNA)
where:
Base-Base interactions energy: -184.803
where: short stacking energy: -84.537
Base-Backbone interact. energy: -0.167
local terms energy: -87.737716
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. 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: -237.486535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.486535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.486638 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -78.542
Base-Backbone interact. energy: 1.567
local terms energy: -90.158956
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -221.946372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.946372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.141092 (E_RNA)
where:
Base-Base interactions energy: -140.269
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.020
local terms energy: -81.851990
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -228.961500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.961500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.169928 (E_RNA)
where:
Base-Base interactions energy: -150.435
where: short stacking energy: -75.067
Base-Backbone interact. energy: -0.009
local terms energy: -78.726007
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -341.728694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.728694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.855060 (E_RNA)
where:
Base-Base interactions energy: -231.411
where: short stacking energy: -106.502
Base-Backbone interact. energy: -0.176
local terms energy: -110.268155
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -29.577
Dist. restrs. and SS energy: 0.126 (S_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: 478
Temperature: 0.950000
Total energy: -335.391016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.391016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.391016 (E_RNA)
where:
Base-Base interactions energy: -222.842
where: short stacking energy: -98.448
Base-Backbone interact. energy: -0.295
local terms energy: -112.253661
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -25.814
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: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -322.332069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.332069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.344100 (E_RNA)
where:
Base-Base interactions energy: -213.327
where: short stacking energy: -102.609
Base-Backbone interact. energy: -0.038
local terms energy: -108.979891
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -30.888
Dist. restrs. and SS energy: 0.012 (S_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: 478
Temperature: 1.050000
Total energy: -267.377760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.377760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.441474 (E_RNA)
where:
Base-Base interactions energy: -162.368
where: short stacking energy: -83.022
Base-Backbone interact. energy: 2.256
local terms energy: -107.329711
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -25.114
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -310.934929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.934929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.934929 (E_RNA)
where:
Base-Base interactions energy: -204.119
where: short stacking energy: -101.127
Base-Backbone interact. energy: -0.301
local terms energy: -106.514511
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -256.613177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.613177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.707473 (E_RNA)
where:
Base-Base interactions energy: -162.858
where: short stacking energy: -85.158
Base-Backbone interact. energy: -0.002
local terms energy: -93.846972
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.094 (S_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: 478
Temperature: 1.200000
Total energy: -219.526163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.526163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.771893 (E_RNA)
where:
Base-Base interactions energy: -134.096
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.927
local terms energy: -84.748365
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.246 (S_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: 478
Temperature: 1.250000
Total energy: -221.747716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.747716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.819881 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -76.724
Base-Backbone interact. energy: 1.672
local terms energy: -77.496404
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -266.278084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.278084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.430018 (E_RNA)
where:
Base-Base interactions energy: -172.536
where: short stacking energy: -81.263
Base-Backbone interact. energy: -0.120
local terms energy: -93.773976
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -215.394630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.394630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.428022 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -68.955
Base-Backbone interact. energy: -0.118
local terms energy: -73.661441
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -334.454152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.454152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.459655 (E_RNA)
where:
Base-Base interactions energy: -228.873
where: short stacking energy: -108.496
Base-Backbone interact. energy: -0.458
local terms energy: -105.128937
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -335.699726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.699726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.723989 (E_RNA)
where:
Base-Base interactions energy: -225.757
where: short stacking energy: -103.701
Base-Backbone interact. energy: -0.031
local terms energy: -109.935700
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -31.189
Dist. restrs. and SS energy: 0.024 (S_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: 479
Temperature: 1.000000
Total energy: -322.690406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.690406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.690406 (E_RNA)
where:
Base-Base interactions energy: -218.828
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.101
local terms energy: -103.761341
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -303.693258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.693258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.731873 (E_RNA)
where:
Base-Base interactions energy: -195.901
where: short stacking energy: -94.936
Base-Backbone interact. energy: -0.170
local terms energy: -107.660114
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.039 (S_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: 479
Temperature: 1.100000
Total energy: -261.664206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.664206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.742752 (E_RNA)
where:
Base-Base interactions energy: -172.930
where: short stacking energy: -87.675
Base-Backbone interact. energy: -0.578
local terms energy: -88.234747
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -251.860289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.860289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.894738 (E_RNA)
where:
Base-Base interactions energy: -160.723
where: short stacking energy: -75.355
Base-Backbone interact. energy: 0.675
local terms energy: -91.847699
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.034 (S_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: 479
Temperature: 1.200000
Total energy: -236.748954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.748954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.805354 (E_RNA)
where:
Base-Base interactions energy: -161.890
where: short stacking energy: -78.110
Base-Backbone interact. energy: 1.250
local terms energy: -76.165273
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -2.414
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.056 (S_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: 479
Temperature: 1.250000
Total energy: -251.423950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.423950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.423950 (E_RNA)
where:
Base-Base interactions energy: -156.689
where: short stacking energy: -80.298
Base-Backbone interact. energy: -0.750
local terms energy: -93.985226
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -22.753
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: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -222.692877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.692877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.700431 (E_RNA)
where:
Base-Base interactions energy: -145.685
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.037
local terms energy: -76.977676
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -0.191
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -229.988555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.988555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.016393 (E_RNA)
where:
Base-Base interactions energy: -144.858
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.137
local terms energy: -85.020672
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.028 (S_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: 480
Temperature: 0.900000
Total energy: -329.761977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.761977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.587039 (E_RNA)
where:
Base-Base interactions energy: -223.107
where: short stacking energy: -100.879
Base-Backbone interact. energy: -0.090
local terms energy: -107.389359
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 0.825 (S_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: 480
Temperature: 0.950000
Total energy: -328.684526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.684526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.928220 (E_RNA)
where:
Base-Base interactions energy: -228.220
where: short stacking energy: -103.401
Base-Backbone interact. energy: -0.049
local terms energy: -101.659178
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 1.244 (S_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: 480
Temperature: 1.000000
Total energy: -319.078050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.078050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.120163 (E_RNA)
where:
Base-Base interactions energy: -221.610
where: short stacking energy: -98.096
Base-Backbone interact. energy: 2.155
local terms energy: -99.665490
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.042 (S_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: 480
Temperature: 1.050000
Total energy: -307.008790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.008790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.294198 (E_RNA)
where:
Base-Base interactions energy: -206.478
where: short stacking energy: -91.882
Base-Backbone interact. energy: -0.137
local terms energy: -100.678711
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -279.755281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.755281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.767332 (E_RNA)
where:
Base-Base interactions energy: -188.677
where: short stacking energy: -91.072
Base-Backbone interact. energy: 0.400
local terms energy: -91.490055
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -22.338
Dist. restrs. and SS energy: 0.012 (S_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: 480
Temperature: 1.150000
Total energy: -269.400156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.400156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.400156 (E_RNA)
where:
Base-Base interactions energy: -184.006
where: short stacking energy: -86.227
Base-Backbone interact. energy: 0.245
local terms energy: -85.638724
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -254.761355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.761355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.941785 (E_RNA)
where:
Base-Base interactions energy: -170.647
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.190
local terms energy: -84.104599
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -219.850735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.850735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.908558 (E_RNA)
where:
Base-Base interactions energy: -142.957
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.313
local terms energy: -76.638486
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -240.534099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.534099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.552864 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -73.606
Base-Backbone interact. energy: -0.026
local terms energy: -95.730195
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -245.780186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.780186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.830767 (E_RNA)
where:
Base-Base interactions energy: -169.078
where: short stacking energy: -79.141
Base-Backbone interact. energy: -1.047
local terms energy: -75.705687
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.051 (S_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: 481
Temperature: 0.900000
Total energy: -335.919931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.919931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.340851 (E_RNA)
where:
Base-Base interactions energy: -229.303
where: short stacking energy: -107.246
Base-Backbone interact. energy: -0.280
local terms energy: -106.758295
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.421 (S_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: 481
Temperature: 0.950000
Total energy: -329.411378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.411378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.411378 (E_RNA)
where:
Base-Base interactions energy: -219.091
where: short stacking energy: -99.865
Base-Backbone interact. energy: -0.082
local terms energy: -110.238087
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -24.831
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: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -318.353274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.353274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.469869 (E_RNA)
where:
Base-Base interactions energy: -205.421
where: short stacking energy: -105.117
Base-Backbone interact. energy: -0.062
local terms energy: -113.985945
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: 1.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -286.675336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.675336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.706491 (E_RNA)
where:
Base-Base interactions energy: -190.860
where: short stacking energy: -82.143
Base-Backbone interact. energy: -0.380
local terms energy: -95.466770
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.031 (S_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: 481
Temperature: 1.100000
Total energy: -275.744090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.744090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.027721 (E_RNA)
where:
Base-Base interactions energy: -185.947
where: short stacking energy: -85.696
Base-Backbone interact. energy: -0.353
local terms energy: -89.727665
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.284 (S_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: 481
Temperature: 1.150000
Total energy: -259.476666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.476666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.485632 (E_RNA)
where:
Base-Base interactions energy: -168.508
where: short stacking energy: -86.988
Base-Backbone interact. energy: -0.386
local terms energy: -90.592095
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.009 (S_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: 481
Temperature: 1.200000
Total energy: -291.299205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.299205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.407440 (E_RNA)
where:
Base-Base interactions energy: -198.726
where: short stacking energy: -92.545
Base-Backbone interact. energy: -0.120
local terms energy: -92.561700
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -238.168392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.168392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.555748 (E_RNA)
where:
Base-Base interactions energy: -154.372
where: short stacking energy: -82.721
Base-Backbone interact. energy: -0.024
local terms energy: -84.159935
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -232.864321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.864321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.098313 (E_RNA)
where:
Base-Base interactions energy: -139.139
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.106
local terms energy: -93.853664
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -202.195229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.195229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.637478 (E_RNA)
where:
Base-Base interactions energy: -126.179
where: short stacking energy: -60.340
Base-Backbone interact. energy: 0.811
local terms energy: -77.269485
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -352.313985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.313985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.331984 (E_RNA)
where:
Base-Base interactions energy: -230.287
where: short stacking energy: -109.947
Base-Backbone interact. energy: -0.047
local terms energy: -121.997986
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -331.910340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.910340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.941783 (E_RNA)
where:
Base-Base interactions energy: -225.715
where: short stacking energy: -94.767
Base-Backbone interact. energy: -0.571
local terms energy: -105.655730
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -309.749139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.749139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.463699 (E_RNA)
where:
Base-Base interactions energy: -206.854
where: short stacking energy: -88.145
Base-Backbone interact. energy: -0.189
local terms energy: -104.420846
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -24.036
Dist. restrs. and SS energy: 1.715 (S_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: 482
Temperature: 1.050000
Total energy: -313.147566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.147566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.267681 (E_RNA)
where:
Base-Base interactions energy: -209.327
where: short stacking energy: -96.024
Base-Backbone interact. energy: -0.322
local terms energy: -105.618613
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -28.193
Dist. restrs. and SS energy: 2.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -282.507507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.507507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.656969 (E_RNA)
where:
Base-Base interactions energy: -182.077
where: short stacking energy: -92.636
Base-Backbone interact. energy: -0.235
local terms energy: -100.344631
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.149 (S_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: 482
Temperature: 1.150000
Total energy: -252.696422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.696422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.696422 (E_RNA)
where:
Base-Base interactions energy: -160.481
where: short stacking energy: -79.328
Base-Backbone interact. energy: -0.077
local terms energy: -92.137845
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -301.050782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.050782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.170899 (E_RNA)
where:
Base-Base interactions energy: -202.920
where: short stacking energy: -87.120
Base-Backbone interact. energy: -0.539
local terms energy: -97.711814
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -234.797829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.797829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.847363 (E_RNA)
where:
Base-Base interactions energy: -144.074
where: short stacking energy: -69.572
Base-Backbone interact. energy: 0.674
local terms energy: -91.447981
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -214.191606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.191606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.207157 (E_RNA)
where:
Base-Base interactions energy: -137.067
where: short stacking energy: -63.160
Base-Backbone interact. energy: -0.721
local terms energy: -76.419164
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -226.391447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.391447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.489539 (E_RNA)
where:
Base-Base interactions energy: -145.321
where: short stacking energy: -72.984
Base-Backbone interact. energy: -0.162
local terms energy: -81.007348
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -343.554601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.554601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.623011 (E_RNA)
where:
Base-Base interactions energy: -226.590
where: short stacking energy: -112.885
Base-Backbone interact. energy: -0.011
local terms energy: -117.021201
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -32.092
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -325.412418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.412418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.509624 (E_RNA)
where:
Base-Base interactions energy: -219.957
where: short stacking energy: -100.613
Base-Backbone interact. energy: -0.116
local terms energy: -105.436412
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -319.042397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.042397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.683998 (E_RNA)
where:
Base-Base interactions energy: -218.024
where: short stacking energy: -93.459
Base-Backbone interact. energy: -0.488
local terms energy: -102.171713
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 1.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -277.633136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.633136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.675515 (E_RNA)
where:
Base-Base interactions energy: -176.330
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.542
local terms energy: -100.803757
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.042 (S_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: 483
Temperature: 1.100000
Total energy: -296.399881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.399881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.053167 (E_RNA)
where:
Base-Base interactions energy: -190.144
where: short stacking energy: -90.680
Base-Backbone interact. energy: -0.011
local terms energy: -107.898164
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -28.936
Dist. restrs. and SS energy: 1.653 (S_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: 483
Temperature: 1.150000
Total energy: -290.812609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.812609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.867940 (E_RNA)
where:
Base-Base interactions energy: -202.651
where: short stacking energy: -95.428
Base-Backbone interact. energy: -0.094
local terms energy: -88.122834
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.055 (S_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: 483
Temperature: 1.200000
Total energy: -244.865130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.865130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.902392 (E_RNA)
where:
Base-Base interactions energy: -153.438
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.070
local terms energy: -91.394821
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -24.158
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -236.323642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.323642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.448767 (E_RNA)
where:
Base-Base interactions energy: -150.785
where: short stacking energy: -69.981
Base-Backbone interact. energy: -0.389
local terms energy: -85.275055
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -225.903505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.903505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.925607 (E_RNA)
where:
Base-Base interactions energy: -143.064
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.166
local terms energy: -82.695284
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -225.349247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.349247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.604601 (E_RNA)
where:
Base-Base interactions energy: -139.281
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.214
local terms energy: -86.109196
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -332.490557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.490557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.551412 (E_RNA)
where:
Base-Base interactions energy: -222.056
where: short stacking energy: -101.191
Base-Backbone interact. energy: -0.114
local terms energy: -110.380983
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -19.054
tors. eta vs tors. theta energy: -28.519
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -338.042497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.042497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.066020 (E_RNA)
where:
Base-Base interactions energy: -233.322
where: short stacking energy: -105.767
Base-Backbone interact. energy: -0.013
local terms energy: -104.731649
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -29.575
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -317.092388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.092388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.176983 (E_RNA)
where:
Base-Base interactions energy: -213.114
where: short stacking energy: -105.978
Base-Backbone interact. energy: -0.112
local terms energy: -105.950424
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -30.647
Dist. restrs. and SS energy: 2.085 (S_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: 484
Temperature: 1.050000
Total energy: -278.855739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.855739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.003659 (E_RNA)
where:
Base-Base interactions energy: -183.113
where: short stacking energy: -83.401
Base-Backbone interact. energy: -0.455
local terms energy: -95.436185
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -298.083535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.083535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.118338 (E_RNA)
where:
Base-Base interactions energy: -202.340
where: short stacking energy: -102.232
Base-Backbone interact. energy: 0.106
local terms energy: -95.885035
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.035 (S_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: 484
Temperature: 1.150000
Total energy: -266.703512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.703512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.713814 (E_RNA)
where:
Base-Base interactions energy: -179.693
where: short stacking energy: -80.694
Base-Backbone interact. energy: -0.326
local terms energy: -86.695352
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -256.174590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.174590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.294082 (E_RNA)
where:
Base-Base interactions energy: -170.358
where: short stacking energy: -90.319
Base-Backbone interact. energy: -0.071
local terms energy: -85.865325
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -259.976916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.976916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.286595 (E_RNA)
where:
Base-Base interactions energy: -171.067
where: short stacking energy: -82.693
Base-Backbone interact. energy: -0.009
local terms energy: -89.211135
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -243.775108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.775108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.782972 (E_RNA)
where:
Base-Base interactions energy: -161.334
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.104
local terms energy: -82.344907
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -220.047907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.047907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.047907 (E_RNA)
where:
Base-Base interactions energy: -135.803
where: short stacking energy: -60.432
Base-Backbone interact. energy: 0.608
local terms energy: -84.852990
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -12.979
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: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -318.213074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.213074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.216952 (E_RNA)
where:
Base-Base interactions energy: -207.195
where: short stacking energy: -96.826
Base-Backbone interact. energy: -0.063
local terms energy: -110.959615
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -329.824779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.824779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.866325 (E_RNA)
where:
Base-Base interactions energy: -220.556
where: short stacking energy: -110.450
Base-Backbone interact. energy: -0.074
local terms energy: -109.235778
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -27.271
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -323.823051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.823051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.748778 (E_RNA)
where:
Base-Base interactions energy: -224.056
where: short stacking energy: -95.285
Base-Backbone interact. energy: -0.295
local terms energy: -101.398114
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -26.518
Dist. restrs. and SS energy: 1.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -311.431787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.431787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.526682 (E_RNA)
where:
Base-Base interactions energy: -206.613
where: short stacking energy: -91.388
Base-Backbone interact. energy: -0.280
local terms energy: -104.633850
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -24.943
Dist. restrs. and SS energy: 0.095 (S_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: 485
Temperature: 1.100000
Total energy: -276.872838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.931284 (E_RNA)
where:
Base-Base interactions energy: -175.168
where: short stacking energy: -89.972
Base-Backbone interact. energy: -0.116
local terms energy: -101.647327
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.058 (S_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: 485
Temperature: 1.150000
Total energy: -249.692908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.692908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.069678 (E_RNA)
where:
Base-Base interactions energy: -161.762
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.734
local terms energy: -87.574049
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -266.964995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.964995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.106369 (E_RNA)
where:
Base-Base interactions energy: -176.850
where: short stacking energy: -91.532
Base-Backbone interact. energy: 1.452
local terms energy: -91.708020
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -22.821
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -239.802274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.802274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.043215 (E_RNA)
where:
Base-Base interactions energy: -154.244
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.076
local terms energy: -85.723401
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -230.626608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.626608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.701845 (E_RNA)
where:
Base-Base interactions energy: -141.623
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.324
local terms energy: -88.755365
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -215.204197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.204197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.480975 (E_RNA)
where:
Base-Base interactions energy: -143.134
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.512
local terms energy: -71.835493
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.277 (S_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: 486
Temperature: 0.900000
Total energy: -332.368421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.368421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.419570 (E_RNA)
where:
Base-Base interactions energy: -222.119
where: short stacking energy: -98.264
Base-Backbone interact. energy: -0.169
local terms energy: -110.132356
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.051 (S_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: 486
Temperature: 0.950000
Total energy: -314.576230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.576230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.668353 (E_RNA)
where:
Base-Base interactions energy: -208.574
where: short stacking energy: -97.047
Base-Backbone interact. energy: 3.038
local terms energy: -109.132618
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -317.306474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.306474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.536869 (E_RNA)
where:
Base-Base interactions energy: -211.141
where: short stacking energy: -102.124
Base-Backbone interact. energy: -0.295
local terms energy: -108.101092
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -304.247427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.247427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.269109 (E_RNA)
where:
Base-Base interactions energy: -198.303
where: short stacking energy: -95.478
Base-Backbone interact. energy: -0.096
local terms energy: -105.870145
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: 0.022 (S_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: 486
Temperature: 1.100000
Total energy: -274.695938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.695938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.894220 (E_RNA)
where:
Base-Base interactions energy: -186.438
where: short stacking energy: -84.549
Base-Backbone interact. energy: 0.618
local terms energy: -89.073790
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.198 (S_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: 486
Temperature: 1.150000
Total energy: -277.420526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.420526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.500889 (E_RNA)
where:
Base-Base interactions energy: -176.764
where: short stacking energy: -91.545
Base-Backbone interact. energy: -0.437
local terms energy: -100.300386
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -25.132
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -244.259536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.259536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.259536 (E_RNA)
where:
Base-Base interactions energy: -154.942
where: short stacking energy: -76.440
Base-Backbone interact. energy: 0.135
local terms energy: -89.451653
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -22.528
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: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -245.981843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.981843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.105281 (E_RNA)
where:
Base-Base interactions energy: -153.974
where: short stacking energy: -78.759
Base-Backbone interact. energy: -0.133
local terms energy: -91.997905
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -242.096882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.096882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.139839 (E_RNA)
where:
Base-Base interactions energy: -150.440
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.035
local terms energy: -91.664699
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.043 (S_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: 486
Temperature: 1.350000
Total energy: -211.983899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.983899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.203145 (E_RNA)
where:
Base-Base interactions energy: -134.416
where: short stacking energy: -66.270
Base-Backbone interact. energy: 0.963
local terms energy: -79.749908
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 1.219 (S_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: 487
Temperature: 0.900000
Total energy: -341.661200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.661200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.714905 (E_RNA)
where:
Base-Base interactions energy: -226.886
where: short stacking energy: -117.301
Base-Backbone interact. energy: -0.039
local terms energy: -114.789816
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -31.308
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -322.219026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.219026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.135992 (E_RNA)
where:
Base-Base interactions energy: -215.419
where: short stacking energy: -101.603
Base-Backbone interact. energy: -0.016
local terms energy: -107.700798
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.917 (S_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: 487
Temperature: 1.000000
Total energy: -324.136653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.136653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.191699 (E_RNA)
where:
Base-Base interactions energy: -219.005
where: short stacking energy: -101.118
Base-Backbone interact. energy: -0.611
local terms energy: -104.574832
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -284.243421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.243421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.274751 (E_RNA)
where:
Base-Base interactions energy: -177.264
where: short stacking energy: -86.659
Base-Backbone interact. energy: -0.043
local terms energy: -106.968271
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -26.722
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -308.885940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.885940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.885940 (E_RNA)
where:
Base-Base interactions energy: -213.087
where: short stacking energy: -105.007
Base-Backbone interact. energy: -0.007
local terms energy: -95.791746
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -27.221
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: 487
Temperature: 1.150000
Total energy: -250.984982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.984982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.087266 (E_RNA)
where:
Base-Base interactions energy: -164.600
where: short stacking energy: -81.879
Base-Backbone interact. energy: -0.213
local terms energy: -86.274975
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -257.593187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.593187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.672601 (E_RNA)
where:
Base-Base interactions energy: -168.716
where: short stacking energy: -83.917
Base-Backbone interact. energy: 0.882
local terms energy: -89.838581
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -239.400571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.400571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.644495 (E_RNA)
where:
Base-Base interactions energy: -146.419
where: short stacking energy: -74.206
Base-Backbone interact. energy: 0.073
local terms energy: -93.298489
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -227.766247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.766247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.796588 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -79.815
Base-Backbone interact. energy: -0.302
local terms energy: -77.201010
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.030 (S_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: 487
Temperature: 1.350000
Total energy: -227.182684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.182684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.261520 (E_RNA)
where:
Base-Base interactions energy: -145.931
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.325
local terms energy: -81.005477
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.079 (S_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: 488
Temperature: 0.900000
Total energy: -337.768845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.768845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.768845 (E_RNA)
where:
Base-Base interactions energy: -215.777
where: short stacking energy: -104.964
Base-Backbone interact. energy: -0.003
local terms energy: -121.989428
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -34.542
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: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -321.437537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.437537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.402338 (E_RNA)
where:
Base-Base interactions energy: -211.677
where: short stacking energy: -101.844
Base-Backbone interact. energy: -0.164
local terms energy: -110.561438
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -28.390
Dist. restrs. and SS energy: 0.965 (S_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: 488
Temperature: 1.000000
Total energy: -305.097071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.097071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.153984 (E_RNA)
where:
Base-Base interactions energy: -201.659
where: short stacking energy: -86.834
Base-Backbone interact. energy: -0.062
local terms energy: -103.432310
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.057 (S_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: 488
Temperature: 1.050000
Total energy: -283.440349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.440349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.450678 (E_RNA)
where:
Base-Base interactions energy: -187.376
where: short stacking energy: -92.487
Base-Backbone interact. energy: -0.043
local terms energy: -96.031550
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -312.217006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.217006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.217006 (E_RNA)
where:
Base-Base interactions energy: -212.577
where: short stacking energy: -98.729
Base-Backbone interact. energy: -0.759
local terms energy: -98.880688
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -24.394
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: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -256.464798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.464798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.475593 (E_RNA)
where:
Base-Base interactions energy: -164.781
where: short stacking energy: -82.356
Base-Backbone interact. energy: -0.312
local terms energy: -91.382522
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.011 (S_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: 488
Temperature: 1.200000
Total energy: -256.097075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.097075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.213288 (E_RNA)
where:
Base-Base interactions energy: -159.557
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.105
local terms energy: -96.551363
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -238.978501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.978501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.522376 (E_RNA)
where:
Base-Base interactions energy: -145.977
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.193
local terms energy: -93.352095
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -240.729508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.729508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.739473 (E_RNA)
where:
Base-Base interactions energy: -146.726
where: short stacking energy: -72.883
Base-Backbone interact. energy: 1.645
local terms energy: -95.657567
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -218.166582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.166582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.166582 (E_RNA)
where:
Base-Base interactions energy: -127.456
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.503
local terms energy: -90.207194
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -340.337195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.337195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.617315 (E_RNA)
where:
Base-Base interactions energy: -228.965
where: short stacking energy: -105.957
Base-Backbone interact. energy: -0.163
local terms energy: -111.490165
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -325.024987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.024987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.040537 (E_RNA)
where:
Base-Base interactions energy: -222.780
where: short stacking energy: -89.730
Base-Backbone interact. energy: -0.259
local terms energy: -102.001209
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -312.926761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.926761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.803897 (E_RNA)
where:
Base-Base interactions energy: -202.084
where: short stacking energy: -89.128
Base-Backbone interact. energy: -0.164
local terms energy: -111.555940
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -326.277049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.467899 (E_RNA)
where:
Base-Base interactions energy: -228.453
where: short stacking energy: -91.662
Base-Backbone interact. energy: -0.399
local terms energy: -97.615341
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -27.581
Dist. restrs. and SS energy: 0.191 (S_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: 489
Temperature: 1.100000
Total energy: -269.791602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.791602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.831001 (E_RNA)
where:
Base-Base interactions energy: -163.954
where: short stacking energy: -81.618
Base-Backbone interact. energy: 0.329
local terms energy: -106.206149
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -24.004
Dist. restrs. and SS energy: 0.039 (S_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: 489
Temperature: 1.150000
Total energy: -268.976190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.976190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.163369 (E_RNA)
where:
Base-Base interactions energy: -172.167
where: short stacking energy: -86.810
Base-Backbone interact. energy: -0.076
local terms energy: -96.920016
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -240.877267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.877267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.054541 (E_RNA)
where:
Base-Base interactions energy: -152.477
where: short stacking energy: -73.156
Base-Backbone interact. energy: 0.903
local terms energy: -89.480300
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -239.505358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.505358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.603109 (E_RNA)
where:
Base-Base interactions energy: -146.769
where: short stacking energy: -72.441
Base-Backbone interact. energy: -0.165
local terms energy: -92.668450
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -223.929872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.929872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.285028 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.172
local terms energy: -91.151649
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -203.869643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.869643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.162082 (E_RNA)
where:
Base-Base interactions energy: -133.529
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.561
local terms energy: -70.071604
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.292 (S_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: 490
Temperature: 0.900000
Total energy: -333.982121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.982121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.096679 (E_RNA)
where:
Base-Base interactions energy: -220.179
where: short stacking energy: -101.597
Base-Backbone interact. energy: -0.073
local terms energy: -113.844973
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -30.645
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -323.043679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.043679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.082212 (E_RNA)
where:
Base-Base interactions energy: -221.168
where: short stacking energy: -101.412
Base-Backbone interact. energy: -0.017
local terms energy: -101.897308
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -28.286
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -321.329026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.329026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.359703 (E_RNA)
where:
Base-Base interactions energy: -204.500
where: short stacking energy: -99.793
Base-Backbone interact. energy: -0.168
local terms energy: -117.691204
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -32.803
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -317.705238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.705238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.719094 (E_RNA)
where:
Base-Base interactions energy: -218.436
where: short stacking energy: -94.871
Base-Backbone interact. energy: -0.225
local terms energy: -99.057670
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.014 (S_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: 490
Temperature: 1.100000
Total energy: -284.275080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.275080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.307787 (E_RNA)
where:
Base-Base interactions energy: -187.261
where: short stacking energy: -88.247
Base-Backbone interact. energy: -0.206
local terms energy: -96.840308
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.033 (S_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: 490
Temperature: 1.150000
Total energy: -270.990743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.990743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.028616 (E_RNA)
where:
Base-Base interactions energy: -182.390
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.347
local terms energy: -88.291754
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -251.237387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.237387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.324987 (E_RNA)
where:
Base-Base interactions energy: -156.506
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.668
local terms energy: -94.151381
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -225.384154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.384154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.435234 (E_RNA)
where:
Base-Base interactions energy: -150.272
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.458
local terms energy: -74.704603
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -231.194304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.194304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.242790 (E_RNA)
where:
Base-Base interactions energy: -148.847
where: short stacking energy: -82.719
Base-Backbone interact. energy: -0.082
local terms energy: -82.313482
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -215.296979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.296979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.520015 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.039
local terms energy: -78.323408
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.223 (S_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: 491
Temperature: 0.900000
Total energy: -330.576755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.576755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.912646 (E_RNA)
where:
Base-Base interactions energy: -217.246
where: short stacking energy: -105.753
Base-Backbone interact. energy: -0.064
local terms energy: -113.602719
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -333.820952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.820952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.335357 (E_RNA)
where:
Base-Base interactions energy: -221.535
where: short stacking energy: -109.538
Base-Backbone interact. energy: -0.001
local terms energy: -113.799114
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -33.451
Dist. restrs. and SS energy: 1.514 (S_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: 491
Temperature: 1.000000
Total energy: -324.443245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.443245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.251658 (E_RNA)
where:
Base-Base interactions energy: -209.203
where: short stacking energy: -92.714
Base-Backbone interact. energy: -0.628
local terms energy: -116.420653
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -266.764839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.764839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.801040 (E_RNA)
where:
Base-Base interactions energy: -173.109
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.244
local terms energy: -93.448657
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -291.261291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.261291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.411314 (E_RNA)
where:
Base-Base interactions energy: -195.455
where: short stacking energy: -89.413
Base-Backbone interact. energy: -0.023
local terms energy: -95.933352
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.150 (S_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: 491
Temperature: 1.150000
Total energy: -296.110451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.110451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.014317 (E_RNA)
where:
Base-Base interactions energy: -200.358
where: short stacking energy: -101.144
Base-Backbone interact. energy: -0.008
local terms energy: -96.648223
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -27.865
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -237.706380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.706380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.740838 (E_RNA)
where:
Base-Base interactions energy: -160.122
where: short stacking energy: -74.959
Base-Backbone interact. energy: -0.311
local terms energy: -77.307267
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -236.940519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.940519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.145486 (E_RNA)
where:
Base-Base interactions energy: -151.415
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.519
local terms energy: -85.210927
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -220.018718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.018718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.124614 (E_RNA)
where:
Base-Base interactions energy: -137.702
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.856
local terms energy: -81.566372
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -212.006665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.006665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061128 (E_RNA)
where:
Base-Base interactions energy: -140.070
where: short stacking energy: -63.549
Base-Backbone interact. energy: 0.427
local terms energy: -72.418153
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -330.154788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.154788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.667812 (E_RNA)
where:
Base-Base interactions energy: -222.631
where: short stacking energy: -105.505
Base-Backbone interact. energy: 0.295
local terms energy: -110.331895
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -30.068
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -322.222899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.222899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.226999 (E_RNA)
where:
Base-Base interactions energy: -213.742
where: short stacking energy: -96.499
Base-Backbone interact. energy: -0.154
local terms energy: -108.331403
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 0.004 (S_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: 492
Temperature: 1.000000
Total energy: -334.371516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.371516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.737266 (E_RNA)
where:
Base-Base interactions energy: -232.339
where: short stacking energy: -106.096
Base-Backbone interact. energy: -0.143
local terms energy: -103.255342
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -272.116923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.116923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.116923 (E_RNA)
where:
Base-Base interactions energy: -172.746
where: short stacking energy: -82.896
Base-Backbone interact. energy: -0.075
local terms energy: -99.296656
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -294.829120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.829120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.068459 (E_RNA)
where:
Base-Base interactions energy: -194.909
where: short stacking energy: -95.816
Base-Backbone interact. energy: -0.155
local terms energy: -102.004143
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 2.239 (S_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: 492
Temperature: 1.150000
Total energy: -261.740092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.740092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.798282 (E_RNA)
where:
Base-Base interactions energy: -155.297
where: short stacking energy: -79.249
Base-Backbone interact. energy: -0.209
local terms energy: -107.292107
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 1.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -236.033401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.033401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.213581 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.207
local terms energy: -90.457643
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -245.654338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.654338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.253396 (E_RNA)
where:
Base-Base interactions energy: -156.390
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.704
local terms energy: -89.158870
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -246.901425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.901425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.919040 (E_RNA)
where:
Base-Base interactions energy: -160.604
where: short stacking energy: -76.442
Base-Backbone interact. energy: -0.069
local terms energy: -86.246618
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -242.076359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.076359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.120750 (E_RNA)
where:
Base-Base interactions energy: -144.864
where: short stacking energy: -73.878
Base-Backbone interact. energy: -0.172
local terms energy: -97.085027
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -345.702272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.702272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.548390 (E_RNA)
where:
Base-Base interactions energy: -221.622
where: short stacking energy: -108.905
Base-Backbone interact. energy: -0.003
local terms energy: -125.922757
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -26.598
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -35.416
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -324.258500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.258500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.318721 (E_RNA)
where:
Base-Base interactions energy: -216.315
where: short stacking energy: -102.957
Base-Backbone interact. energy: -0.106
local terms energy: -109.897395
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -31.012
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -335.147197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.147197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.899573 (E_RNA)
where:
Base-Base interactions energy: -226.312
where: short stacking energy: -94.260
Base-Backbone interact. energy: -0.191
local terms energy: -109.396537
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -24.630
Dist. restrs. and SS energy: 0.752 (S_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: 493
Temperature: 1.050000
Total energy: -318.407857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.407857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.163881 (E_RNA)
where:
Base-Base interactions energy: -210.308
where: short stacking energy: -94.577
Base-Backbone interact. energy: -0.142
local terms energy: -109.714100
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 1.756 (S_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: 493
Temperature: 1.100000
Total energy: -268.694273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.694273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.700294 (E_RNA)
where:
Base-Base interactions energy: -171.527
where: short stacking energy: -87.435
Base-Backbone interact. energy: -0.200
local terms energy: -96.972771
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -25.463
Dist. restrs. and SS energy: 0.006 (S_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: 493
Temperature: 1.150000
Total energy: -249.492646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.492646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.872187 (E_RNA)
where:
Base-Base interactions energy: -148.724
where: short stacking energy: -75.525
Base-Backbone interact. energy: -0.123
local terms energy: -101.025616
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.380 (S_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: 493
Temperature: 1.200000
Total energy: -239.544753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.544753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.581433 (E_RNA)
where:
Base-Base interactions energy: -153.725
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.142
local terms energy: -85.714025
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -255.688619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.688619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.903634 (E_RNA)
where:
Base-Base interactions energy: -162.264
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.181
local terms energy: -93.458433
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -219.057127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.057127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.437031 (E_RNA)
where:
Base-Base interactions energy: -131.875
where: short stacking energy: -67.644
Base-Backbone interact. energy: 1.115
local terms energy: -88.677199
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -232.589852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.589852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.795803 (E_RNA)
where:
Base-Base interactions energy: -154.828
where: short stacking energy: -67.343
Base-Backbone interact. energy: 2.299
local terms energy: -80.266307
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -328.955885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.955885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.930402 (E_RNA)
where:
Base-Base interactions energy: -221.059
where: short stacking energy: -99.049
Base-Backbone interact. energy: -0.063
local terms energy: -109.808200
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -24.205
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -28.296
Dist. restrs. and SS energy: 1.975 (S_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: 494
Temperature: 0.950000
Total energy: -326.060209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.060209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.576036 (E_RNA)
where:
Base-Base interactions energy: -216.888
where: short stacking energy: -95.533
Base-Backbone interact. energy: -0.172
local terms energy: -109.516325
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.516 (S_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: 494
Temperature: 1.000000
Total energy: -322.816360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.816360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.113635 (E_RNA)
where:
Base-Base interactions energy: -214.454
where: short stacking energy: -101.555
Base-Backbone interact. energy: -0.052
local terms energy: -109.607217
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 1.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -316.615666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.615666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.631069 (E_RNA)
where:
Base-Base interactions energy: -218.690
where: short stacking energy: -94.177
Base-Backbone interact. energy: -0.180
local terms energy: -97.760921
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 0.015 (S_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: 494
Temperature: 1.100000
Total energy: -262.063628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.063628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.136279 (E_RNA)
where:
Base-Base interactions energy: -161.838
where: short stacking energy: -82.559
Base-Backbone interact. energy: -0.117
local terms energy: -100.182096
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.073 (S_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: 494
Temperature: 1.150000
Total energy: -248.175530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.175530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.440472 (E_RNA)
where:
Base-Base interactions energy: -155.396
where: short stacking energy: -77.480
Base-Backbone interact. energy: -0.182
local terms energy: -92.862885
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.265 (S_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: 494
Temperature: 1.200000
Total energy: -241.779798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.779798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.810567 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -72.988
Base-Backbone interact. energy: 0.175
local terms energy: -96.524446
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -233.459779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.459779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.631641 (E_RNA)
where:
Base-Base interactions energy: -143.335
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.225
local terms energy: -90.072387
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -228.938599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.938599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.970916 (E_RNA)
where:
Base-Base interactions energy: -147.549
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.295
local terms energy: -81.127093
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -198.671646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.740845 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.043
local terms energy: -63.127616
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -341.365537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.365537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.302886 (E_RNA)
where:
Base-Base interactions energy: -231.693
where: short stacking energy: -109.443
Base-Backbone interact. energy: -0.326
local terms energy: -111.283970
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -32.322
Dist. restrs. and SS energy: 1.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -333.972997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.972997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.367499 (E_RNA)
where:
Base-Base interactions energy: -220.793
where: short stacking energy: -108.392
Base-Backbone interact. energy: -0.104
local terms energy: -114.471389
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -32.731
Dist. restrs. and SS energy: 1.395 (S_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: 495
Temperature: 1.000000
Total energy: -328.940738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.940738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.986575 (E_RNA)
where:
Base-Base interactions energy: -222.408
where: short stacking energy: -99.814
Base-Backbone interact. energy: -0.663
local terms energy: -105.916143
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.046 (S_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: 495
Temperature: 1.050000
Total energy: -266.592865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.592865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.802541 (E_RNA)
where:
Base-Base interactions energy: -163.097
where: short stacking energy: -87.494
Base-Backbone interact. energy: 1.398
local terms energy: -105.104234
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -26.841
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -280.189530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.189530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.189530 (E_RNA)
where:
Base-Base interactions energy: -186.772
where: short stacking energy: -84.932
Base-Backbone interact. energy: -0.563
local terms energy: -92.854347
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -18.877
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -253.447027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.447027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.004688 (E_RNA)
where:
Base-Base interactions energy: -157.098
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.712
local terms energy: -96.194035
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.558 (S_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: 495
Temperature: 1.200000
Total energy: -242.002940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.002940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.142420 (E_RNA)
where:
Base-Base interactions energy: -155.654
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.773
local terms energy: -85.715226
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -233.425787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.425787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.505801 (E_RNA)
where:
Base-Base interactions energy: -142.278
where: short stacking energy: -66.281
Base-Backbone interact. energy: 0.540
local terms energy: -91.768082
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -234.649668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.649668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.711163 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.261
local terms energy: -84.786852
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -202.034524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.034524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.089621 (E_RNA)
where:
Base-Base interactions energy: -131.322
where: short stacking energy: -53.761
Base-Backbone interact. energy: -0.434
local terms energy: -70.333741
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -337.629280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.629280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.762730 (E_RNA)
where:
Base-Base interactions energy: -223.999
where: short stacking energy: -107.220
Base-Backbone interact. energy: -0.005
local terms energy: -115.758671
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 2.133 (S_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: 496
Temperature: 0.950000
Total energy: -328.999485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.999485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.645750 (E_RNA)
where:
Base-Base interactions energy: -215.124
where: short stacking energy: -103.316
Base-Backbone interact. energy: -0.411
local terms energy: -115.110795
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -276.907289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.907289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.937344 (E_RNA)
where:
Base-Base interactions energy: -176.278
where: short stacking energy: -94.995
Base-Backbone interact. energy: -0.243
local terms energy: -100.416680
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -23.966
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -313.863184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.863184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.863184 (E_RNA)
where:
Base-Base interactions energy: -212.305
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.803
local terms energy: -100.755803
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -277.213106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.213106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.663566 (E_RNA)
where:
Base-Base interactions energy: -180.617
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.069
local terms energy: -96.976985
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.450 (S_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: 496
Temperature: 1.150000
Total energy: -263.225076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.225076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.411989 (E_RNA)
where:
Base-Base interactions energy: -165.870
where: short stacking energy: -87.574
Base-Backbone interact. energy: -0.182
local terms energy: -97.359379
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -250.227765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.227765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.288332 (E_RNA)
where:
Base-Base interactions energy: -150.820
where: short stacking energy: -77.092
Base-Backbone interact. energy: -0.088
local terms energy: -99.379619
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.061 (S_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: 496
Temperature: 1.250000
Total energy: -243.326350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.326350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.649393 (E_RNA)
where:
Base-Base interactions energy: -158.719
where: short stacking energy: -74.311
Base-Backbone interact. energy: 0.509
local terms energy: -85.439032
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -221.576651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.576651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.800841 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.483
local terms energy: -86.575255
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -193.382346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.510517 (E_RNA)
where:
Base-Base interactions energy: -118.949
where: short stacking energy: -49.921
Base-Backbone interact. energy: -0.159
local terms energy: -74.402314
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -334.016488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.016488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.138647 (E_RNA)
where:
Base-Base interactions energy: -219.671
where: short stacking energy: -110.108
Base-Backbone interact. energy: -0.276
local terms energy: -115.191460
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -34.523
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -326.036871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.036871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.089826 (E_RNA)
where:
Base-Base interactions energy: -211.406
where: short stacking energy: -97.207
Base-Backbone interact. energy: 0.960
local terms energy: -115.643508
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -30.513
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -261.872161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.872161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.878683 (E_RNA)
where:
Base-Base interactions energy: -166.649
where: short stacking energy: -90.910
Base-Backbone interact. energy: -0.610
local terms energy: -94.619432
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -316.400709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.400709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.415384 (E_RNA)
where:
Base-Base interactions energy: -207.161
where: short stacking energy: -97.194
Base-Backbone interact. energy: -0.174
local terms energy: -109.080488
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -293.331786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.331786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.010756 (E_RNA)
where:
Base-Base interactions energy: -195.677
where: short stacking energy: -93.111
Base-Backbone interact. energy: -0.191
local terms energy: -99.142625
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 1.679 (S_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: 497
Temperature: 1.150000
Total energy: -237.267050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.267050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.270180 (E_RNA)
where:
Base-Base interactions energy: -149.986
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.664
local terms energy: -86.619992
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.003 (S_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: 497
Temperature: 1.200000
Total energy: -262.347924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.347924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.432580 (E_RNA)
where:
Base-Base interactions energy: -166.059
where: short stacking energy: -78.457
Base-Backbone interact. energy: -0.149
local terms energy: -96.224745
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -219.888497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.888497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.008213 (E_RNA)
where:
Base-Base interactions energy: -133.676
where: short stacking energy: -59.485
Base-Backbone interact. energy: -0.186
local terms energy: -86.145980
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -221.797945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.797945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825996 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -62.459
Base-Backbone interact. energy: 0.102
local terms energy: -87.386381
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -225.895371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.895371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.030157 (E_RNA)
where:
Base-Base interactions energy: -150.435
where: short stacking energy: -72.599
Base-Backbone interact. energy: -0.222
local terms energy: -75.373123
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -334.233006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.233006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.115467 (E_RNA)
where:
Base-Base interactions energy: -223.915
where: short stacking energy: -104.672
Base-Backbone interact. energy: -0.938
local terms energy: -110.263194
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.882 (S_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: 498
Temperature: 0.950000
Total energy: -335.448870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.448870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.452418 (E_RNA)
where:
Base-Base interactions energy: -222.862
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.653
local terms energy: -111.937053
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -30.056
Dist. restrs. and SS energy: 0.004 (S_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: 498
Temperature: 1.000000
Total energy: -328.203469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.203469 (E_RNA)
where:
Base-Base interactions energy: -226.103
where: short stacking energy: -108.442
Base-Backbone interact. energy: -0.101
local terms energy: -101.999589
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -29.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -263.306127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.306127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.354742 (E_RNA)
where:
Base-Base interactions energy: -167.224
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.039
local terms energy: -96.091050
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -307.542597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.542597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.076049 (E_RNA)
where:
Base-Base interactions energy: -205.131
where: short stacking energy: -89.803
Base-Backbone interact. energy: -0.076
local terms energy: -103.869024
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -26.558
Dist. restrs. and SS energy: 1.533 (S_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: 498
Temperature: 1.150000
Total energy: -248.896867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.896867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.936122 (E_RNA)
where:
Base-Base interactions energy: -150.082
where: short stacking energy: -72.352
Base-Backbone interact. energy: 0.947
local terms energy: -99.801483
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.039 (S_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: 498
Temperature: 1.200000
Total energy: -255.759279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.759279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.104852 (E_RNA)
where:
Base-Base interactions energy: -173.659
where: short stacking energy: -76.675
Base-Backbone interact. energy: -0.260
local terms energy: -82.185114
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -246.054869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.054869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.058532 (E_RNA)
where:
Base-Base interactions energy: -162.584
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.090
local terms energy: -83.384467
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -229.478501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.478501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.529403 (E_RNA)
where:
Base-Base interactions energy: -144.322
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.260
local terms energy: -84.947553
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -2.234
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -221.234240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.234240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263808 (E_RNA)
where:
Base-Base interactions energy: -137.850
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.177
local terms energy: -83.236923
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -325.227575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.227575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.890629 (E_RNA)
where:
Base-Base interactions energy: -220.100
where: short stacking energy: -102.465
Base-Backbone interact. energy: -0.053
local terms energy: -106.737678
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -332.737962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.737962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.881394 (E_RNA)
where:
Base-Base interactions energy: -216.299
where: short stacking energy: -109.530
Base-Backbone interact. energy: 0.426
local terms energy: -117.008949
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -32.285
Dist. restrs. and SS energy: 0.143 (S_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: 499
Temperature: 1.000000
Total energy: -317.833333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.833333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.833333 (E_RNA)
where:
Base-Base interactions energy: -212.193
where: short stacking energy: -100.467
Base-Backbone interact. energy: -0.349
local terms energy: -105.291354
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -28.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -303.763565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.763565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.980602 (E_RNA)
where:
Base-Base interactions energy: -200.579
where: short stacking energy: -95.230
Base-Backbone interact. energy: -0.014
local terms energy: -103.387226
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -28.168
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -269.742577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.742577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.742577 (E_RNA)
where:
Base-Base interactions energy: -175.477
where: short stacking energy: -86.643
Base-Backbone interact. energy: -0.205
local terms energy: -94.060615
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -290.633636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.633636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.674961 (E_RNA)
where:
Base-Base interactions energy: -193.260
where: short stacking energy: -84.818
Base-Backbone interact. energy: -0.357
local terms energy: -97.057582
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -242.165220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.165220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.211838 (E_RNA)
where:
Base-Base interactions energy: -150.852
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.311
local terms energy: -91.049154
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -253.941640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.941640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.010297 (E_RNA)
where:
Base-Base interactions energy: -168.018
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.119
local terms energy: -85.873420
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -249.519032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.519032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.536385 (E_RNA)
where:
Base-Base interactions energy: -152.463
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.443
local terms energy: -96.630461
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -226.813869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.037031 (E_RNA)
where:
Base-Base interactions energy: -143.283
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.651
local terms energy: -83.103003
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -317.154232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.154232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.172439 (E_RNA)
where:
Base-Base interactions energy: -206.045
where: short stacking energy: -101.681
Base-Backbone interact. energy: -0.022
local terms energy: -111.105054
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -26.961
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -327.328969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.328969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.357108 (E_RNA)
where:
Base-Base interactions energy: -216.159
where: short stacking energy: -104.934
Base-Backbone interact. energy: -0.103
local terms energy: -111.094894
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -32.681
Dist. restrs. and SS energy: 0.028 (S_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: 500
Temperature: 1.000000
Total energy: -309.409095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.409095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.293804 (E_RNA)
where:
Base-Base interactions energy: -211.199
where: short stacking energy: -100.509
Base-Backbone interact. energy: -0.089
local terms energy: -100.005395
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 1.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -312.961886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.961886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.344243 (E_RNA)
where:
Base-Base interactions energy: -199.556
where: short stacking energy: -93.613
Base-Backbone interact. energy: -0.787
local terms energy: -113.001137
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -28.066
Dist. restrs. and SS energy: 0.382 (S_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: 500
Temperature: 1.100000
Total energy: -299.515991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.515991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.752256 (E_RNA)
where:
Base-Base interactions energy: -194.261
where: short stacking energy: -87.621
Base-Backbone interact. energy: -0.101
local terms energy: -106.390349
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -25.707
Dist. restrs. and SS energy: 1.236 (S_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: 500
Temperature: 1.150000
Total energy: -270.901690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.901690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.051902 (E_RNA)
where:
Base-Base interactions energy: -182.401
where: short stacking energy: -91.381
Base-Backbone interact. energy: -0.014
local terms energy: -88.636611
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -271.453614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.453614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.496432 (E_RNA)
where:
Base-Base interactions energy: -194.627
where: short stacking energy: -74.799
Base-Backbone interact. energy: 1.291
local terms energy: -78.159823
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -23.050
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -235.739945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.739945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.989007 (E_RNA)
where:
Base-Base interactions energy: -137.968
where: short stacking energy: -78.413
Base-Backbone interact. energy: -0.234
local terms energy: -97.786439
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -225.354990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.354990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.381917 (E_RNA)
where:
Base-Base interactions energy: -144.642
where: short stacking energy: -69.363
Base-Backbone interact. energy: -0.188
local terms energy: -80.551379
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -224.666560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.666560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.701950 (E_RNA)
where:
Base-Base interactions energy: -147.385
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.287
local terms energy: -77.029483
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -331.470329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.470329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.808857 (E_RNA)
where:
Base-Base interactions energy: -223.139
where: short stacking energy: -102.549
Base-Backbone interact. energy: 0.044
local terms energy: -108.714583
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -333.173106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.173106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.189929 (E_RNA)
where:
Base-Base interactions energy: -217.008
where: short stacking energy: -109.706
Base-Backbone interact. energy: -0.022
local terms energy: -116.159188
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.017 (S_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: 501
Temperature: 1.000000
Total energy: -317.509005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.509005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.581300 (E_RNA)
where:
Base-Base interactions energy: -211.955
where: short stacking energy: -102.664
Base-Backbone interact. energy: -0.137
local terms energy: -106.489050
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -319.104206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.104206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.123016 (E_RNA)
where:
Base-Base interactions energy: -209.361
where: short stacking energy: -101.598
Base-Backbone interact. energy: -0.003
local terms energy: -109.758353
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -31.016
Dist. restrs. and SS energy: 0.019 (S_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: 501
Temperature: 1.100000
Total energy: -307.757374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.757374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.809889 (E_RNA)
where:
Base-Base interactions energy: -210.575
where: short stacking energy: -92.842
Base-Backbone interact. energy: 0.082
local terms energy: -97.317146
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -261.231211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.231211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.234111 (E_RNA)
where:
Base-Base interactions energy: -170.947
where: short stacking energy: -81.987
Base-Backbone interact. energy: -0.051
local terms energy: -90.236331
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: 0.003 (S_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: 501
Temperature: 1.200000
Total energy: -277.239831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.239831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.239831 (E_RNA)
where:
Base-Base interactions energy: -191.549
where: short stacking energy: -86.508
Base-Backbone interact. energy: -0.684
local terms energy: -85.007161
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -225.077777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.077777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.268591 (E_RNA)
where:
Base-Base interactions energy: -149.553
where: short stacking energy: -64.874
Base-Backbone interact. energy: -0.125
local terms energy: -75.590319
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -216.800451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.800451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.958057 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.048
local terms energy: -86.206432
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -235.589975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.589975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.632235 (E_RNA)
where:
Base-Base interactions energy: -149.965
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.219
local terms energy: -85.448570
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 20917586
moves confirmed later: 24174359
all moves confirmed: 45091945
percent of confirmed moves: 5.636493
current total energy: -278.748314
recalc. total energy: -278.748314
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 23644089
moves confirmed later: 27945277
all moves confirmed: 51589366
percent of confirmed moves: 6.448671
current total energy: -274.815066
recalc. total energy: -274.815066
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 21723433
moves confirmed later: 25241314
all moves confirmed: 46964747
percent of confirmed moves: 5.870593
current total energy: -267.084807
recalc. total energy: -267.084807
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 21110930
moves confirmed later: 24418455
all moves confirmed: 45529385
percent of confirmed moves: 5.691173
current total energy: -285.168093
recalc. total energy: -285.168093
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 22969407
moves confirmed later: 26957819
all moves confirmed: 49927226
percent of confirmed moves: 6.240903
current total energy: -256.688303
recalc. total energy: -256.688303
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 20666075
moves confirmed later: 23781117
all moves confirmed: 44447192
percent of confirmed moves: 5.555899
current total energy: -224.186306
recalc. total energy: -224.186306
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21498981
moves confirmed later: 24940103
all moves confirmed: 46439084
percent of confirmed moves: 5.804886
current total energy: -194.301790
recalc. total energy: -194.301790
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 21116824
moves confirmed later: 24457511
all moves confirmed: 45574335
percent of confirmed moves: 5.696792
current total energy: -155.797928
recalc. total energy: -155.797928
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 20032233
moves confirmed later: 22936675
all moves confirmed: 42968908
percent of confirmed moves: 5.371113
current total energy: -155.827620
recalc. total energy: -155.827620
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 21218358
moves confirmed later: 24600054
all moves confirmed: 45818412
percent of confirmed moves: 5.727302
current total energy: -163.782147
recalc. total energy: -163.782147
out arg RESULTS//1/RNA-8fcdf768_01
Time of doing 8000000 iterations: 4413.599 seconds