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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-f50c9ba1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-f50c9ba1/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -605.597251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.597251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.597251 (E_RNA)
where:
Base-Base interactions energy: -276.420
where: short stacking energy: -259.871
Base-Backbone interact. energy: -0.133
local terms energy: -329.044149
where:
bonds (distance) C4'-P energy: -69.449
bonds (distance) P-C4' energy: -81.277
flat angles C4'-P-C4' energy: -76.684
flat angles P-C4'-P energy: -47.879
tors. eta vs tors. theta energy: -53.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -552.998189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.998189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.998189 (E_RNA)
where:
Base-Base interactions energy: -229.966
where: short stacking energy: -227.341
Base-Backbone interact. energy: -0.266
local terms energy: -322.766117
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -73.920
flat angles C4'-P-C4' energy: -70.992
flat angles P-C4'-P energy: -44.348
tors. eta vs tors. theta energy: -57.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -543.562559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.562559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.562559 (E_RNA)
where:
Base-Base interactions energy: -227.209
where: short stacking energy: -225.918
Base-Backbone interact. energy: -0.209
local terms energy: -316.145421
where:
bonds (distance) C4'-P energy: -73.567
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -75.701
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -55.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -500.053239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.053239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.853239 (E_RNA)
where:
Base-Base interactions energy: -205.281
where: short stacking energy: -191.783
Base-Backbone interact. energy: -1.374
local terms energy: -286.198492
where:
bonds (distance) C4'-P energy: -75.012
bonds (distance) P-C4' energy: -64.336
flat angles C4'-P-C4' energy: -77.690
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: -7.200 (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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -467.086248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.086248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.086248 (E_RNA)
where:
Base-Base interactions energy: -24.044
where: short stacking energy: -24.044
Base-Backbone interact. energy: -0.000
local terms energy: -443.042522
where:
bonds (distance) C4'-P energy: -108.892
bonds (distance) P-C4' energy: -102.386
flat angles C4'-P-C4' energy: -84.310
flat angles P-C4'-P energy: -95.950
tors. eta vs tors. theta energy: -51.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -461.909075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.909075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.909075 (E_RNA)
where:
Base-Base interactions energy: -15.049
where: short stacking energy: -15.049
Base-Backbone interact. energy: -0.000
local terms energy: -446.860195
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.474
tors. eta vs tors. theta energy: -51.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -461.906950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.906950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.906950 (E_RNA)
where:
Base-Base interactions energy: -15.009
where: short stacking energy: -15.009
Base-Backbone interact. energy: -0.000
local terms energy: -446.897437
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.511
tors. eta vs tors. theta energy: -51.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -462.131957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.131957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.131957 (E_RNA)
where:
Base-Base interactions energy: -15.695
where: short stacking energy: -15.695
Base-Backbone interact. energy: -0.000
local terms energy: -446.436468
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -462.129552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.129552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.129552 (E_RNA)
where:
Base-Base interactions energy: -15.693
where: short stacking energy: -15.693
Base-Backbone interact. energy: -0.000
local terms energy: -446.436468
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -462.009943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.009943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.009943 (E_RNA)
where:
Base-Base interactions energy: -15.749
where: short stacking energy: -15.749
Base-Backbone interact. energy: -0.000
local terms energy: -446.261088
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -51.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -643.507622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.507622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.507622 (E_RNA)
where:
Base-Base interactions energy: -277.192
where: short stacking energy: -258.092
Base-Backbone interact. energy: -0.373
local terms energy: -365.942215
where:
bonds (distance) C4'-P energy: -78.975
bonds (distance) P-C4' energy: -82.123
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -56.690
tors. eta vs tors. theta energy: -69.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -617.082963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.082963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.882963 (E_RNA)
where:
Base-Base interactions energy: -288.110
where: short stacking energy: -253.966
Base-Backbone interact. energy: -0.143
local terms energy: -321.630113
where:
bonds (distance) C4'-P energy: -76.988
bonds (distance) P-C4' energy: -74.000
flat angles C4'-P-C4' energy: -76.405
flat angles P-C4'-P energy: -34.339
tors. eta vs tors. theta energy: -59.898
Dist. restrs. and SS energy: -7.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -635.496281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.496281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.496281 (E_RNA)
where:
Base-Base interactions energy: -322.860
where: short stacking energy: -218.476
Base-Backbone interact. energy: -1.288
local terms energy: -284.348542
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -33.385
Dist. restrs. and SS energy: -27.000 (S_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: -605.443671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.443671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.243671 (E_RNA)
where:
Base-Base interactions energy: -305.327
where: short stacking energy: -159.162
Base-Backbone interact. energy: 3.406
local terms energy: -269.322492
where:
bonds (distance) C4'-P energy: -64.648
bonds (distance) P-C4' energy: -74.975
flat angles C4'-P-C4' energy: -63.952
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: -34.200 (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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -605.788467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.788467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.188467 (E_RNA)
where:
Base-Base interactions energy: -316.041
where: short stacking energy: -181.353
Base-Backbone interact. energy: -1.925
local terms energy: -266.222640
where:
bonds (distance) C4'-P energy: -64.554
bonds (distance) P-C4' energy: -75.356
flat angles C4'-P-C4' energy: -68.359
flat angles P-C4'-P energy: -30.206
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: -21.600 (S_DIST_RNA)
chem. 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: -599.263208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.263208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.663208 (E_RNA)
where:
Base-Base interactions energy: -275.260
where: short stacking energy: -151.876
Base-Backbone interact. energy: 0.490
local terms energy: -266.893577
where:
bonds (distance) C4'-P energy: -74.167
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: -57.600 (S_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: -499.591718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.591718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.991718 (E_RNA)
where:
Base-Base interactions energy: -221.189
where: short stacking energy: -150.275
Base-Backbone interact. energy: -0.773
local terms energy: -238.029524
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -63.647
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. 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: -402.405573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.405573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.205573 (E_RNA)
where:
Base-Base interactions energy: -164.677
where: short stacking energy: -113.456
Base-Backbone interact. energy: 0.255
local terms energy: -212.783415
where:
bonds (distance) C4'-P energy: -65.521
bonds (distance) P-C4' energy: -63.004
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: -25.200 (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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -434.342971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.342971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.142971 (E_RNA)
where:
Base-Base interactions energy: -188.173
where: short stacking energy: -103.223
Base-Backbone interact. energy: 0.720
local terms energy: -203.689991
where:
bonds (distance) C4'-P energy: -68.568
bonds (distance) P-C4' energy: -60.780
flat angles C4'-P-C4' energy: -52.226
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: 2.890
Dist. restrs. and SS energy: -43.200 (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: 3
Temperature: 1.350000
Total energy: -406.781789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.781789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.181789 (E_RNA)
where:
Base-Base interactions energy: -174.974
where: short stacking energy: -121.604
Base-Backbone interact. energy: -1.542
local terms energy: -199.666058
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -59.272
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. 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: -633.242833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.242833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.442833 (E_RNA)
where:
Base-Base interactions energy: -294.101
where: short stacking energy: -245.401
Base-Backbone interact. energy: -0.726
local terms energy: -336.615515
where:
bonds (distance) C4'-P energy: -77.046
bonds (distance) P-C4' energy: -86.946
flat angles C4'-P-C4' energy: -76.799
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -50.168
Dist. restrs. and SS energy: -1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -686.655645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.655645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.855645 (E_RNA)
where:
Base-Base interactions energy: -334.748
where: short stacking energy: -242.115
Base-Backbone interact. energy: -0.762
local terms energy: -322.345889
where:
bonds (distance) C4'-P energy: -73.723
bonds (distance) P-C4' energy: -73.031
flat angles C4'-P-C4' energy: -71.956
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -55.636
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -754.801274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.801274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.401274 (E_RNA)
where:
Base-Base interactions energy: -394.549
where: short stacking energy: -232.547
Base-Backbone interact. energy: -0.993
local terms energy: -317.858575
where:
bonds (distance) C4'-P energy: -62.831
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -72.396
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -58.350
Dist. restrs. and SS energy: -41.400 (S_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: -697.412869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.412869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.212869 (E_RNA)
where:
Base-Base interactions energy: -385.636
where: short stacking energy: -231.082
Base-Backbone interact. energy: -2.170
local terms energy: -275.406106
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -63.124
flat angles C4'-P-C4' energy: -64.124
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -44.957
Dist. restrs. and SS energy: -34.200 (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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -862.498880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.498880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.698880 (E_RNA)
where:
Base-Base interactions energy: -456.561
where: short stacking energy: -213.363
Base-Backbone interact. energy: 4.049
local terms energy: -282.187059
where:
bonds (distance) C4'-P energy: -61.550
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -53.291
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: -47.795
Dist. restrs. and SS energy: -127.800 (S_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: 4
Temperature: 1.150000
Total energy: -662.641069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.641069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.841069 (E_RNA)
where:
Base-Base interactions energy: -367.405
where: short stacking energy: -210.141
Base-Backbone interact. energy: 0.743
local terms energy: -267.179073
where:
bonds (distance) C4'-P energy: -71.857
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -64.589
flat angles P-C4'-P energy: -37.285
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -553.715411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.715411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.315411 (E_RNA)
where:
Base-Base interactions energy: -272.062
where: short stacking energy: -140.997
Base-Backbone interact. energy: 4.834
local terms energy: -227.088376
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -66.891
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: -59.400 (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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -496.543905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.543905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.143905 (E_RNA)
where:
Base-Base interactions energy: -224.365
where: short stacking energy: -111.205
Base-Backbone interact. energy: -1.870
local terms energy: -219.909358
where:
bonds (distance) C4'-P energy: -61.234
bonds (distance) P-C4' energy: -61.084
flat angles C4'-P-C4' energy: -58.494
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: 4.806
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -455.938424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.938424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.738424 (E_RNA)
where:
Base-Base interactions energy: -185.796
where: short stacking energy: -89.109
Base-Backbone interact. energy: 4.713
local terms energy: -204.655761
where:
bonds (distance) C4'-P energy: -62.594
bonds (distance) P-C4' energy: -70.542
flat angles C4'-P-C4' energy: -53.487
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: 16.350
Dist. restrs. and SS energy: -70.200 (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: 4
Temperature: 1.350000
Total energy: -445.399611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.399611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.199611 (E_RNA)
where:
Base-Base interactions energy: -216.464
where: short stacking energy: -110.263
Base-Backbone interact. energy: 6.357
local terms energy: -192.092805
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: 4.905
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. 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: -727.276343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.276343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.276343 (E_RNA)
where:
Base-Base interactions energy: -379.109
where: short stacking energy: -267.115
Base-Backbone interact. energy: 1.184
local terms energy: -322.350750
where:
bonds (distance) C4'-P energy: -78.365
bonds (distance) P-C4' energy: -66.596
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -65.046
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -766.720585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.720585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.520585 (E_RNA)
where:
Base-Base interactions energy: -414.621
where: short stacking energy: -214.943
Base-Backbone interact. energy: -0.558
local terms energy: -308.341504
where:
bonds (distance) C4'-P energy: -69.834
bonds (distance) P-C4' energy: -73.358
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -48.591
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -714.208552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.208552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.408552 (E_RNA)
where:
Base-Base interactions energy: -368.351
where: short stacking energy: -257.106
Base-Backbone interact. energy: -1.346
local terms energy: -315.711395
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -71.855
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -62.730
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1003.794367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.794367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.594367 (E_RNA)
where:
Base-Base interactions energy: -593.371
where: short stacking energy: -253.850
Base-Backbone interact. energy: -1.540
local terms energy: -266.683530
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -71.397
flat angles C4'-P-C4' energy: -60.040
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -50.833
Dist. restrs. and SS energy: -142.200 (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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -679.519923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.519923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.519923 (E_RNA)
where:
Base-Base interactions energy: -376.305
where: short stacking energy: -194.913
Base-Backbone interact. energy: -1.434
local terms energy: -256.780375
where:
bonds (distance) C4'-P energy: -71.026
bonds (distance) P-C4' energy: -68.595
flat angles C4'-P-C4' energy: -59.026
flat angles P-C4'-P energy: -34.427
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: -45.000 (S_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: 5
Temperature: 1.150000
Total energy: -665.739692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.739692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.539692 (E_RNA)
where:
Base-Base interactions energy: -351.509
where: short stacking energy: -187.729
Base-Backbone interact. energy: -1.216
local terms energy: -269.814364
where:
bonds (distance) C4'-P energy: -69.394
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -36.485
Dist. restrs. and SS energy: -43.200 (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: 5
Temperature: 1.200000
Total energy: -596.512521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.512521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.512521 (E_RNA)
where:
Base-Base interactions energy: -289.776
where: short stacking energy: -152.812
Base-Backbone interact. energy: -1.300
local terms energy: -251.436899
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -72.364
flat angles C4'-P-C4' energy: -65.770
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: -54.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -620.161853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.161853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.561853 (E_RNA)
where:
Base-Base interactions energy: -299.498
where: short stacking energy: -136.877
Base-Backbone interact. energy: -0.106
local terms energy: -226.958191
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -64.190
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -532.330478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.330478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.330478 (E_RNA)
where:
Base-Base interactions energy: -261.755
where: short stacking energy: -146.475
Base-Backbone interact. energy: -1.568
local terms energy: -206.007891
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: -63.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -435.264572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.264572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.864572 (E_RNA)
where:
Base-Base interactions energy: -173.855
where: short stacking energy: -98.091
Base-Backbone interact. energy: 0.937
local terms energy: -220.946580
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -66.156
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: 14.546
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -847.903833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.903833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.903833 (E_RNA)
where:
Base-Base interactions energy: -489.265
where: short stacking energy: -247.448
Base-Backbone interact. energy: -0.780
local terms energy: -312.858201
where:
bonds (distance) C4'-P energy: -74.500
bonds (distance) P-C4' energy: -77.611
flat angles C4'-P-C4' energy: -66.078
flat angles P-C4'-P energy: -51.501
tors. eta vs tors. theta energy: -43.168
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -717.612377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.612377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.812377 (E_RNA)
where:
Base-Base interactions energy: -362.290
where: short stacking energy: -269.273
Base-Backbone interact. energy: -1.222
local terms energy: -325.299753
where:
bonds (distance) C4'-P energy: -68.051
bonds (distance) P-C4' energy: -72.812
flat angles C4'-P-C4' energy: -69.927
flat angles P-C4'-P energy: -50.450
tors. eta vs tors. theta energy: -64.060
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1121.147906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.147906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.747906 (E_RNA)
where:
Base-Base interactions energy: -647.756
where: short stacking energy: -277.701
Base-Backbone interact. energy: 0.535
local terms energy: -324.527495
where:
bonds (distance) C4'-P energy: -60.166
bonds (distance) P-C4' energy: -69.551
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -53.608
tors. eta vs tors. theta energy: -66.431
Dist. restrs. and SS energy: -149.400 (S_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: 6
Temperature: 1.050000
Total energy: -734.031000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.031000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.831000 (E_RNA)
where:
Base-Base interactions energy: -376.257
where: short stacking energy: -216.647
Base-Backbone interact. energy: -2.964
local terms energy: -320.609437
where:
bonds (distance) C4'-P energy: -67.356
bonds (distance) P-C4' energy: -74.693
flat angles C4'-P-C4' energy: -83.156
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: -42.969
Dist. restrs. and SS energy: -34.200 (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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -762.382302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.382302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.982302 (E_RNA)
where:
Base-Base interactions energy: -433.431
where: short stacking energy: -219.925
Base-Backbone interact. energy: 2.426
local terms energy: -280.977395
where:
bonds (distance) C4'-P energy: -66.100
bonds (distance) P-C4' energy: -54.979
flat angles C4'-P-C4' energy: -70.296
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -41.925
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -713.234900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.234900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.634900 (E_RNA)
where:
Base-Base interactions energy: -403.949
where: short stacking energy: -189.553
Base-Backbone interact. energy: -2.515
local terms energy: -258.170933
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -59.617
flat angles C4'-P-C4' energy: -60.208
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -720.024563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.024563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.624563 (E_RNA)
where:
Base-Base interactions energy: -372.087
where: short stacking energy: -179.649
Base-Backbone interact. energy: -1.240
local terms energy: -233.297209
where:
bonds (distance) C4'-P energy: -63.906
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: -113.400 (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: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -631.104723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.104723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.304723 (E_RNA)
where:
Base-Base interactions energy: -314.859
where: short stacking energy: -160.231
Base-Backbone interact. energy: -1.118
local terms energy: -259.327716
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -68.597
flat angles C4'-P-C4' energy: -61.254
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -554.669018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.669018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.069018 (E_RNA)
where:
Base-Base interactions energy: -263.423
where: short stacking energy: -142.907
Base-Backbone interact. energy: 1.751
local terms energy: -235.397197
where:
bonds (distance) C4'-P energy: -65.457
bonds (distance) P-C4' energy: -58.981
flat angles C4'-P-C4' energy: -60.349
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: -57.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -473.228906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.228906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.028906 (E_RNA)
where:
Base-Base interactions energy: -228.109
where: short stacking energy: -133.189
Base-Backbone interact. energy: -1.464
local terms energy: -209.455186
where:
bonds (distance) C4'-P energy: -65.414
bonds (distance) P-C4' energy: -57.433
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -873.356013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.356013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.956013 (E_RNA)
where:
Base-Base interactions energy: -499.792
where: short stacking energy: -283.097
Base-Backbone interact. energy: 0.069
local terms energy: -314.232611
where:
bonds (distance) C4'-P energy: -70.080
bonds (distance) P-C4' energy: -68.320
flat angles C4'-P-C4' energy: -74.647
flat angles P-C4'-P energy: -46.146
tors. eta vs tors. theta energy: -55.039
Dist. restrs. and SS energy: -59.400 (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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1199.559577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.559577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.759577 (E_RNA)
where:
Base-Base interactions energy: -722.547
where: short stacking energy: -292.750
Base-Backbone interact. energy: -1.202
local terms energy: -330.010395
where:
bonds (distance) C4'-P energy: -76.126
bonds (distance) P-C4' energy: -76.753
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -64.896
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -723.751266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.751266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.751266 (E_RNA)
where:
Base-Base interactions energy: -396.488
where: short stacking energy: -235.661
Base-Backbone interact. energy: -1.533
local terms energy: -289.729458
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -67.089
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -48.145
tors. eta vs tors. theta energy: -48.751
Dist. restrs. and SS energy: -36.000 (S_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: -856.732812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.732812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.132812 (E_RNA)
where:
Base-Base interactions energy: -486.217
where: short stacking energy: -244.307
Base-Backbone interact. energy: -1.796
local terms energy: -311.119655
where:
bonds (distance) C4'-P energy: -70.030
bonds (distance) P-C4' energy: -63.468
flat angles C4'-P-C4' energy: -66.382
flat angles P-C4'-P energy: -47.624
tors. eta vs tors. theta energy: -63.615
Dist. restrs. and SS energy: -57.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -699.428970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.428970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.028970 (E_RNA)
where:
Base-Base interactions energy: -402.398
where: short stacking energy: -206.986
Base-Backbone interact. energy: 0.364
local terms energy: -264.995019
where:
bonds (distance) C4'-P energy: -62.874
bonds (distance) P-C4' energy: -69.007
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -32.996
tors. eta vs tors. theta energy: -31.015
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -853.101408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.101408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.901408 (E_RNA)
where:
Base-Base interactions energy: -462.971
where: short stacking energy: -209.214
Base-Backbone interact. energy: -1.388
local terms energy: -255.542489
where:
bonds (distance) C4'-P energy: -60.924
bonds (distance) P-C4' energy: -64.509
flat angles C4'-P-C4' energy: -68.300
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: -133.200 (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: 7
Temperature: 1.200000
Total energy: -757.279530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.279530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.079530 (E_RNA)
where:
Base-Base interactions energy: -454.288
where: short stacking energy: -190.734
Base-Backbone interact. energy: 4.016
local terms energy: -245.807022
where:
bonds (distance) C4'-P energy: -56.238
bonds (distance) P-C4' energy: -61.747
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -34.003
tors. eta vs tors. theta energy: -28.650
Dist. restrs. and SS energy: -61.200 (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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -744.917094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.917094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.517094 (E_RNA)
where:
Base-Base interactions energy: -447.112
where: short stacking energy: -189.910
Base-Backbone interact. energy: -2.333
local terms energy: -209.071369
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: -86.400 (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: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -691.992153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.992153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.392153 (E_RNA)
where:
Base-Base interactions energy: -348.047
where: short stacking energy: -146.363
Base-Backbone interact. energy: -0.159
local terms energy: -268.186449
where:
bonds (distance) C4'-P energy: -63.548
bonds (distance) P-C4' energy: -67.585
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: -37.729
Dist. restrs. and SS energy: -75.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -496.014290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.014290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.214290 (E_RNA)
where:
Base-Base interactions energy: -247.600
where: short stacking energy: -125.005
Base-Backbone interact. energy: 1.238
local terms energy: -202.852829
where:
bonds (distance) C4'-P energy: -51.804
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -53.435
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1242.830643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.830643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.430643 (E_RNA)
where:
Base-Base interactions energy: -756.411
where: short stacking energy: -308.343
Base-Backbone interact. energy: -3.162
local terms energy: -333.857195
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -69.513
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: -76.467
Dist. restrs. and SS energy: -149.400 (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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -887.147089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.147089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.547089 (E_RNA)
where:
Base-Base interactions energy: -490.733
where: short stacking energy: -237.025
Base-Backbone interact. energy: -2.122
local terms energy: -318.691753
where:
bonds (distance) C4'-P energy: -76.696
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -55.543
Dist. restrs. and SS energy: -75.600 (S_DIST_RNA)
chem. 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: -876.246615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.246615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.446615 (E_RNA)
where:
Base-Base interactions energy: -492.307
where: short stacking energy: -237.594
Base-Backbone interact. energy: -1.897
local terms energy: -317.242369
where:
bonds (distance) C4'-P energy: -62.496
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -72.894
flat angles P-C4'-P energy: -53.483
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: -64.800 (S_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: 8
Temperature: 1.050000
Total energy: -690.550547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.550547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.350547 (E_RNA)
where:
Base-Base interactions energy: -348.251
where: short stacking energy: -209.136
Base-Backbone interact. energy: -0.783
local terms energy: -298.316998
where:
bonds (distance) C4'-P energy: -69.298
bonds (distance) P-C4' energy: -73.147
flat angles C4'-P-C4' energy: -72.716
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -43.554
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -885.089293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.089293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.289293 (E_RNA)
where:
Base-Base interactions energy: -491.846
where: short stacking energy: -209.203
Base-Backbone interact. energy: 0.399
local terms energy: -256.841925
where:
bonds (distance) C4'-P energy: -70.541
bonds (distance) P-C4' energy: -62.634
flat angles C4'-P-C4' energy: -54.726
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -31.596
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -681.897915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.897915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.897915 (E_RNA)
where:
Base-Base interactions energy: -388.808
where: short stacking energy: -186.467
Base-Backbone interact. energy: -3.329
local terms energy: -253.760603
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -63.419
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: -36.000 (S_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: 8
Temperature: 1.200000
Total energy: -836.883275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.883275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.883275 (E_RNA)
where:
Base-Base interactions energy: -492.383
where: short stacking energy: -201.343
Base-Backbone interact. energy: -1.223
local terms energy: -262.276976
where:
bonds (distance) C4'-P energy: -46.613
bonds (distance) P-C4' energy: -56.916
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -46.230
Dist. restrs. and SS energy: -81.000 (S_DIST_RNA)
chem. 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: -774.179195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.179195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.979195 (E_RNA)
where:
Base-Base interactions energy: -405.395
where: short stacking energy: -180.816
Base-Backbone interact. energy: -0.672
local terms energy: -279.912360
where:
bonds (distance) C4'-P energy: -65.981
bonds (distance) P-C4' energy: -61.318
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -41.410
Dist. restrs. and SS energy: -88.200 (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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -598.979184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.979184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.179184 (E_RNA)
where:
Base-Base interactions energy: -311.277
where: short stacking energy: -153.619
Base-Backbone interact. energy: -1.473
local terms energy: -230.428967
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -64.164
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -53.090
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -676.265233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.265233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.465233 (E_RNA)
where:
Base-Base interactions energy: -352.675
where: short stacking energy: -151.846
Base-Backbone interact. energy: -2.500
local terms energy: -238.290010
where:
bonds (distance) C4'-P energy: -57.856
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -53.589
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -30.441
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1246.774773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.774773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.574773 (E_RNA)
where:
Base-Base interactions energy: -765.961
where: short stacking energy: -333.777
Base-Backbone interact. energy: -1.623
local terms energy: -327.990266
where:
bonds (distance) C4'-P energy: -70.108
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -68.833
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -76.417
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. 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: -938.304477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.304477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.104477 (E_RNA)
where:
Base-Base interactions energy: -544.933
where: short stacking energy: -261.466
Base-Backbone interact. energy: -1.149
local terms energy: -322.023223
where:
bonds (distance) C4'-P energy: -66.916
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -49.514
tors. eta vs tors. theta energy: -59.046
Dist. restrs. and SS energy: -70.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -890.594214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.594214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.794214 (E_RNA)
where:
Base-Base interactions energy: -498.539
where: short stacking energy: -250.964
Base-Backbone interact. energy: 0.263
local terms energy: -309.518230
where:
bonds (distance) C4'-P energy: -61.276
bonds (distance) P-C4' energy: -62.605
flat angles C4'-P-C4' energy: -69.937
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -59.426
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -950.574973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.574973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.974973 (E_RNA)
where:
Base-Base interactions energy: -510.929
where: short stacking energy: -255.630
Base-Backbone interact. energy: -1.229
local terms energy: -299.817341
where:
bonds (distance) C4'-P energy: -55.858
bonds (distance) P-C4' energy: -79.739
flat angles C4'-P-C4' energy: -62.107
flat angles P-C4'-P energy: -49.756
tors. eta vs tors. theta energy: -52.358
Dist. restrs. and SS energy: -138.600 (S_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: 9
Temperature: 1.100000
Total energy: -659.813287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.813287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.413287 (E_RNA)
where:
Base-Base interactions energy: -331.968
where: short stacking energy: -204.155
Base-Backbone interact. energy: -1.375
local terms energy: -285.069931
where:
bonds (distance) C4'-P energy: -60.466
bonds (distance) P-C4' energy: -76.952
flat angles C4'-P-C4' energy: -64.673
flat angles P-C4'-P energy: -45.839
tors. eta vs tors. theta energy: -37.141
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -930.916096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.916096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.116096 (E_RNA)
where:
Base-Base interactions energy: -550.428
where: short stacking energy: -223.530
Base-Backbone interact. energy: -1.716
local terms energy: -295.972259
where:
bonds (distance) C4'-P energy: -71.458
bonds (distance) P-C4' energy: -72.080
flat angles C4'-P-C4' energy: -66.563
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -54.417
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -627.822706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.822706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.822706 (E_RNA)
where:
Base-Base interactions energy: -339.160
where: short stacking energy: -180.795
Base-Backbone interact. energy: 0.982
local terms energy: -253.644231
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -44.931
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -786.169381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.169381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.569381 (E_RNA)
where:
Base-Base interactions energy: -454.416
where: short stacking energy: -199.139
Base-Backbone interact. energy: -1.715
local terms energy: -236.437971
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -42.774
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -46.238
tors. eta vs tors. theta energy: -39.221
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -636.536090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.536090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.736090 (E_RNA)
where:
Base-Base interactions energy: -331.625
where: short stacking energy: -150.507
Base-Backbone interact. energy: 0.465
local terms energy: -240.575866
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -62.552
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: -64.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -658.167472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.167472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.367472 (E_RNA)
where:
Base-Base interactions energy: -341.340
where: short stacking energy: -142.209
Base-Backbone interact. energy: 0.990
local terms energy: -217.017982
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -24.525
tors. eta vs tors. theta energy: -26.501
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1217.227511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.227511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.827511 (E_RNA)
where:
Base-Base interactions energy: -730.017
where: short stacking energy: -311.766
Base-Backbone interact. energy: -2.546
local terms energy: -335.264389
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -72.258
Dist. restrs. and SS energy: -149.400 (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: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -937.975894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.975894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.375894 (E_RNA)
where:
Base-Base interactions energy: -541.039
where: short stacking energy: -299.731
Base-Backbone interact. energy: -0.692
local terms energy: -329.644909
where:
bonds (distance) C4'-P energy: -70.815
bonds (distance) P-C4' energy: -71.232
flat angles C4'-P-C4' energy: -72.717
flat angles P-C4'-P energy: -46.053
tors. eta vs tors. theta energy: -68.828
Dist. restrs. and SS energy: -66.600 (S_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: 10
Temperature: 1.000000
Total energy: -975.195400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.195400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.195400 (E_RNA)
where:
Base-Base interactions energy: -530.127
where: short stacking energy: -263.922
Base-Backbone interact. energy: -1.699
local terms energy: -308.369488
where:
bonds (distance) C4'-P energy: -61.243
bonds (distance) P-C4' energy: -70.164
flat angles C4'-P-C4' energy: -73.785
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -63.104
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -885.652708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.652708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.652708 (E_RNA)
where:
Base-Base interactions energy: -479.796
where: short stacking energy: -224.438
Base-Backbone interact. energy: -0.807
local terms energy: -315.049874
where:
bonds (distance) C4'-P energy: -75.245
bonds (distance) P-C4' energy: -68.108
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -57.920
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1074.120553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.120553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.720553 (E_RNA)
where:
Base-Base interactions energy: -628.287
where: short stacking energy: -260.569
Base-Backbone interact. energy: -1.769
local terms energy: -312.664808
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -64.656
flat angles C4'-P-C4' energy: -78.343
flat angles P-C4'-P energy: -44.551
tors. eta vs tors. theta energy: -63.654
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -601.146139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.146139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.746139 (E_RNA)
where:
Base-Base interactions energy: -317.758
where: short stacking energy: -171.955
Base-Backbone interact. energy: -0.558
local terms energy: -241.430142
where:
bonds (distance) C4'-P energy: -51.722
bonds (distance) P-C4' energy: -59.287
flat angles C4'-P-C4' energy: -73.750
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -895.975904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.975904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.975904 (E_RNA)
where:
Base-Base interactions energy: -517.010
where: short stacking energy: -230.944
Base-Backbone interact. energy: -0.436
local terms energy: -288.529893
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -59.182
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -50.127
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -626.319585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.319585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.119585 (E_RNA)
where:
Base-Base interactions energy: -326.460
where: short stacking energy: -167.922
Base-Backbone interact. energy: -2.495
local terms energy: -254.164754
where:
bonds (distance) C4'-P energy: -66.077
bonds (distance) P-C4' energy: -67.830
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -23.183
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -741.856252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.856252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.256252 (E_RNA)
where:
Base-Base interactions energy: -399.627
where: short stacking energy: -186.876
Base-Backbone interact. energy: -0.753
local terms energy: -238.876601
where:
bonds (distance) C4'-P energy: -69.680
bonds (distance) P-C4' energy: -63.352
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -614.837767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.837767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.637767 (E_RNA)
where:
Base-Base interactions energy: -337.238
where: short stacking energy: -137.101
Base-Backbone interact. energy: -1.976
local terms energy: -214.423626
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -68.109
flat angles C4'-P-C4' energy: -38.256
flat angles P-C4'-P energy: -43.373
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: -61.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1207.092554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.092554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.892554 (E_RNA)
where:
Base-Base interactions energy: -723.668
where: short stacking energy: -307.866
Base-Backbone interact. energy: -0.940
local terms energy: -331.284628
where:
bonds (distance) C4'-P energy: -63.555
bonds (distance) P-C4' energy: -69.737
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -72.141
Dist. restrs. and SS energy: -151.200 (S_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: 11
Temperature: 0.950000
Total energy: -1033.882788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.882788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.482788 (E_RNA)
where:
Base-Base interactions energy: -566.149
where: short stacking energy: -287.782
Base-Backbone interact. energy: -0.408
local terms energy: -326.925361
where:
bonds (distance) C4'-P energy: -79.388
bonds (distance) P-C4' energy: -73.116
flat angles C4'-P-C4' energy: -69.541
flat angles P-C4'-P energy: -36.720
tors. eta vs tors. theta energy: -68.160
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -902.768591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.768591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.568591 (E_RNA)
where:
Base-Base interactions energy: -522.295
where: short stacking energy: -266.458
Base-Backbone interact. energy: -1.907
local terms energy: -308.367069
where:
bonds (distance) C4'-P energy: -60.660
bonds (distance) P-C4' energy: -73.267
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -57.580
Dist. restrs. and SS energy: -70.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1112.155992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.155992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.755992 (E_RNA)
where:
Base-Base interactions energy: -670.941
where: short stacking energy: -283.531
Base-Backbone interact. energy: 2.845
local terms energy: -312.660595
where:
bonds (distance) C4'-P energy: -62.542
bonds (distance) P-C4' energy: -63.270
flat angles C4'-P-C4' energy: -80.706
flat angles P-C4'-P energy: -40.942
tors. eta vs tors. theta energy: -65.201
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -880.373498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.373498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.573498 (E_RNA)
where:
Base-Base interactions energy: -506.842
where: short stacking energy: -235.834
Base-Backbone interact. energy: 0.746
local terms energy: -291.477096
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -62.231
flat angles C4'-P-C4' energy: -69.677
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -52.977
Dist. restrs. and SS energy: -82.800 (S_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: 11
Temperature: 1.150000
Total energy: -916.708217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.708217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.708217 (E_RNA)
where:
Base-Base interactions energy: -538.604
where: short stacking energy: -235.484
Base-Backbone interact. energy: -1.167
local terms energy: -286.937121
where:
bonds (distance) C4'-P energy: -56.966
bonds (distance) P-C4' energy: -61.181
flat angles C4'-P-C4' energy: -82.229
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -54.252
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -601.408074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.408074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.008074 (E_RNA)
where:
Base-Base interactions energy: -311.987
where: short stacking energy: -156.601
Base-Backbone interact. energy: -1.858
local terms energy: -246.163603
where:
bonds (distance) C4'-P energy: -73.738
bonds (distance) P-C4' energy: -68.539
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -29.685
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: -41.400 (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: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -811.064244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.064244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.664244 (E_RNA)
where:
Base-Base interactions energy: -433.440
where: short stacking energy: -196.145
Base-Backbone interact. energy: 0.977
local terms energy: -274.201589
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -65.624
flat angles C4'-P-C4' energy: -71.788
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -41.579
Dist. restrs. and SS energy: -104.400 (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: 2
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -579.864859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.864859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.464859 (E_RNA)
where:
Base-Base interactions energy: -314.308
where: short stacking energy: -164.490
Base-Backbone interact. energy: -1.459
local terms energy: -231.697615
where:
bonds (distance) C4'-P energy: -59.058
bonds (distance) P-C4' energy: -62.004
flat angles C4'-P-C4' energy: -56.846
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -501.295135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.295135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.495135 (E_RNA)
where:
Base-Base interactions energy: -245.659
where: short stacking energy: -112.312
Base-Backbone interact. energy: -0.345
local terms energy: -199.490688
where:
bonds (distance) C4'-P energy: -50.331
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1219.108352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.108352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.908352 (E_RNA)
where:
Base-Base interactions energy: -719.658
where: short stacking energy: -292.199
Base-Backbone interact. energy: -1.924
local terms energy: -346.326665
where:
bonds (distance) C4'-P energy: -67.546
bonds (distance) P-C4' energy: -84.524
flat angles C4'-P-C4' energy: -74.716
flat angles P-C4'-P energy: -53.263
tors. eta vs tors. theta energy: -66.277
Dist. restrs. and SS energy: -151.200 (S_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: 12
Temperature: 0.950000
Total energy: -1002.868780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.868780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.268780 (E_RNA)
where:
Base-Base interactions energy: -550.274
where: short stacking energy: -267.066
Base-Backbone interact. energy: 0.019
local terms energy: -314.014131
where:
bonds (distance) C4'-P energy: -71.701
bonds (distance) P-C4' energy: -72.956
flat angles C4'-P-C4' energy: -70.848
flat angles P-C4'-P energy: -45.645
tors. eta vs tors. theta energy: -52.864
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1128.151140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.151140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.751140 (E_RNA)
where:
Base-Base interactions energy: -675.257
where: short stacking energy: -279.708
Base-Backbone interact. energy: 0.521
local terms energy: -322.015568
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -67.903
flat angles C4'-P-C4' energy: -77.118
flat angles P-C4'-P energy: -43.534
tors. eta vs tors. theta energy: -65.859
Dist. restrs. and SS energy: -131.400 (S_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: 12
Temperature: 1.050000
Total energy: -885.787725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.787725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.787725 (E_RNA)
where:
Base-Base interactions energy: -503.185
where: short stacking energy: -246.286
Base-Backbone interact. energy: -2.415
local terms energy: -308.187584
where:
bonds (distance) C4'-P energy: -74.951
bonds (distance) P-C4' energy: -53.645
flat angles C4'-P-C4' energy: -80.999
flat angles P-C4'-P energy: -38.366
tors. eta vs tors. theta energy: -60.227
Dist. restrs. and SS energy: -72.000 (S_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: 12
Temperature: 1.100000
Total energy: -976.619089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.619089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.019089 (E_RNA)
where:
Base-Base interactions energy: -553.380
where: short stacking energy: -268.714
Base-Backbone interact. energy: -2.981
local terms energy: -326.658138
where:
bonds (distance) C4'-P energy: -71.344
bonds (distance) P-C4' energy: -61.709
flat angles C4'-P-C4' energy: -77.809
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -61.934
Dist. restrs. and SS energy: -93.600 (S_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: 12
Temperature: 1.150000
Total energy: -891.438561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.438561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.638561 (E_RNA)
where:
Base-Base interactions energy: -532.095
where: short stacking energy: -211.557
Base-Backbone interact. energy: -0.361
local terms energy: -276.183042
where:
bonds (distance) C4'-P energy: -61.724
bonds (distance) P-C4' energy: -66.361
flat angles C4'-P-C4' energy: -68.961
flat angles P-C4'-P energy: -45.007
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: -82.800 (S_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: 12
Temperature: 1.200000
Total energy: -829.969141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.969141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.969141 (E_RNA)
where:
Base-Base interactions energy: -456.333
where: short stacking energy: -196.120
Base-Backbone interact. energy: -1.000
local terms energy: -264.636039
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -64.332
flat angles C4'-P-C4' energy: -57.918
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: -35.536
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -628.496989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.496989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.496989 (E_RNA)
where:
Base-Base interactions energy: -355.991
where: short stacking energy: -165.387
Base-Backbone interact. energy: -1.836
local terms energy: -225.670218
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -57.554
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -576.139119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.139119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.739119 (E_RNA)
where:
Base-Base interactions energy: -268.508
where: short stacking energy: -135.519
Base-Backbone interact. energy: 3.990
local terms energy: -243.220693
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -70.853
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: -68.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -539.146754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.146754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.746754 (E_RNA)
where:
Base-Base interactions energy: -277.412
where: short stacking energy: -138.456
Base-Backbone interact. energy: -0.228
local terms energy: -229.106624
where:
bonds (distance) C4'-P energy: -50.386
bonds (distance) P-C4' energy: -68.178
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: -32.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1232.095885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.095885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.695885 (E_RNA)
where:
Base-Base interactions energy: -736.771
where: short stacking energy: -324.948
Base-Backbone interact. energy: -2.411
local terms energy: -343.514099
where:
bonds (distance) C4'-P energy: -73.448
bonds (distance) P-C4' energy: -63.838
flat angles C4'-P-C4' energy: -74.721
flat angles P-C4'-P energy: -51.390
tors. eta vs tors. theta energy: -80.117
Dist. restrs. and SS energy: -149.400 (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: 13
Temperature: 0.950000
Total energy: -1180.773391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.773391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.973391 (E_RNA)
where:
Base-Base interactions energy: -698.780
where: short stacking energy: -300.291
Base-Backbone interact. energy: -2.345
local terms energy: -351.848029
where:
bonds (distance) C4'-P energy: -78.087
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -75.112
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -74.618
Dist. restrs. and SS energy: -127.800 (S_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: 13
Temperature: 1.000000
Total energy: -1037.914227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.914227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.914227 (E_RNA)
where:
Base-Base interactions energy: -580.749
where: short stacking energy: -273.633
Base-Backbone interact. energy: -1.180
local terms energy: -311.985005
where:
bonds (distance) C4'-P energy: -66.464
bonds (distance) P-C4' energy: -80.237
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -39.670
tors. eta vs tors. theta energy: -66.939
Dist. restrs. and SS energy: -144.000 (S_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: 13
Temperature: 1.050000
Total energy: -1000.872404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.872404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.272404 (E_RNA)
where:
Base-Base interactions energy: -605.581
where: short stacking energy: -264.716
Base-Backbone interact. energy: -1.566
local terms energy: -300.125601
where:
bonds (distance) C4'-P energy: -71.902
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -68.571
flat angles P-C4'-P energy: -33.456
tors. eta vs tors. theta energy: -64.287
Dist. restrs. and SS energy: -93.600 (S_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: 13
Temperature: 1.100000
Total energy: -819.275423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.275423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.675423 (E_RNA)
where:
Base-Base interactions energy: -470.357
where: short stacking energy: -216.957
Base-Backbone interact. energy: 4.782
local terms energy: -287.100340
where:
bonds (distance) C4'-P energy: -60.714
bonds (distance) P-C4' energy: -70.523
flat angles C4'-P-C4' energy: -64.525
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -53.881
Dist. restrs. and SS energy: -66.600 (S_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: 13
Temperature: 1.150000
Total energy: -904.634566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.834566 (E_RNA)
where:
Base-Base interactions energy: -550.756
where: short stacking energy: -217.190
Base-Backbone interact. energy: 1.305
local terms energy: -263.384133
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -65.092
flat angles C4'-P-C4' energy: -67.120
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -43.475
Dist. restrs. and SS energy: -91.800 (S_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: 13
Temperature: 1.200000
Total energy: -866.287601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.287601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.887601 (E_RNA)
where:
Base-Base interactions energy: -482.042
where: short stacking energy: -208.422
Base-Backbone interact. energy: -0.607
local terms energy: -279.238920
where:
bonds (distance) C4'-P energy: -61.302
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -61.931
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -48.664
Dist. restrs. and SS energy: -104.400 (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: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -607.604225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.604225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.804225 (E_RNA)
where:
Base-Base interactions energy: -300.722
where: short stacking energy: -150.983
Base-Backbone interact. energy: -1.085
local terms energy: -222.998022
where:
bonds (distance) C4'-P energy: -58.571
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -51.566
flat angles P-C4'-P energy: -38.664
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: -82.800 (S_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: 13
Temperature: 1.300000
Total energy: -584.749322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.749322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.149322 (E_RNA)
where:
Base-Base interactions energy: -308.752
where: short stacking energy: -142.030
Base-Backbone interact. energy: -2.030
local terms energy: -234.367176
where:
bonds (distance) C4'-P energy: -66.916
bonds (distance) P-C4' energy: -58.071
flat angles C4'-P-C4' energy: -60.108
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -582.451530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.451530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.451530 (E_RNA)
where:
Base-Base interactions energy: -311.592
where: short stacking energy: -147.295
Base-Backbone interact. energy: -2.028
local terms energy: -196.831504
where:
bonds (distance) C4'-P energy: -49.820
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: -72.000 (S_DIST_RNA)
chem. 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: -1236.360551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.360551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.760551 (E_RNA)
where:
Base-Base interactions energy: -727.607
where: short stacking energy: -320.431
Base-Backbone interact. energy: -2.741
local terms energy: -349.412844
where:
bonds (distance) C4'-P energy: -76.672
bonds (distance) P-C4' energy: -70.078
flat angles C4'-P-C4' energy: -68.476
flat angles P-C4'-P energy: -57.202
tors. eta vs tors. theta energy: -76.985
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. 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: -1187.699156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.699156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.499156 (E_RNA)
where:
Base-Base interactions energy: -690.613
where: short stacking energy: -316.965
Base-Backbone interact. energy: -1.046
local terms energy: -362.840487
where:
bonds (distance) C4'-P energy: -77.505
bonds (distance) P-C4' energy: -80.927
flat angles C4'-P-C4' energy: -80.579
flat angles P-C4'-P energy: -42.954
tors. eta vs tors. theta energy: -80.875
Dist. restrs. and SS energy: -133.200 (S_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: 14
Temperature: 1.000000
Total energy: -1039.592463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.592463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.192463 (E_RNA)
where:
Base-Base interactions energy: -573.560
where: short stacking energy: -264.206
Base-Backbone interact. energy: -0.847
local terms energy: -324.785374
where:
bonds (distance) C4'-P energy: -60.406
bonds (distance) P-C4' energy: -70.987
flat angles C4'-P-C4' energy: -79.803
flat angles P-C4'-P energy: -48.930
tors. eta vs tors. theta energy: -64.660
Dist. restrs. and SS energy: -140.400 (S_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: 14
Temperature: 1.050000
Total energy: -1021.391375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.391375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.391375 (E_RNA)
where:
Base-Base interactions energy: -591.867
where: short stacking energy: -263.409
Base-Backbone interact. energy: -3.274
local terms energy: -336.250563
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -77.949
flat angles C4'-P-C4' energy: -67.573
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -73.952
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -910.733816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.733816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.933816 (E_RNA)
where:
Base-Base interactions energy: -553.930
where: short stacking energy: -223.456
Base-Backbone interact. energy: -3.354
local terms energy: -261.649648
where:
bonds (distance) C4'-P energy: -66.692
bonds (distance) P-C4' energy: -56.445
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: -41.922
Dist. restrs. and SS energy: -91.800 (S_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: 14
Temperature: 1.150000
Total energy: -821.879293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.879293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.079293 (E_RNA)
where:
Base-Base interactions energy: -456.536
where: short stacking energy: -219.509
Base-Backbone interact. energy: -3.237
local terms energy: -288.306391
where:
bonds (distance) C4'-P energy: -55.629
bonds (distance) P-C4' energy: -62.137
flat angles C4'-P-C4' energy: -79.687
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -48.639
Dist. restrs. and SS energy: -73.800 (S_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: 14
Temperature: 1.200000
Total energy: -863.615243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.615243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.615243 (E_RNA)
where:
Base-Base interactions energy: -490.825
where: short stacking energy: -218.041
Base-Backbone interact. energy: -0.795
local terms energy: -263.995183
where:
bonds (distance) C4'-P energy: -61.580
bonds (distance) P-C4' energy: -67.342
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -39.141
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -680.156252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.156252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.756252 (E_RNA)
where:
Base-Base interactions energy: -343.749
where: short stacking energy: -188.078
Base-Backbone interact. energy: -0.566
local terms energy: -258.441704
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -59.485
flat angles C4'-P-C4' energy: -67.545
flat angles P-C4'-P energy: -46.603
tors. eta vs tors. theta energy: -35.041
Dist. restrs. and SS energy: -77.400 (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: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -674.086349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.086349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.486349 (E_RNA)
where:
Base-Base interactions energy: -351.266
where: short stacking energy: -183.643
Base-Backbone interact. energy: -1.621
local terms energy: -245.599205
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -55.434
flat angles C4'-P-C4' energy: -66.483
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -34.296
Dist. restrs. and SS energy: -75.600 (S_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: 14
Temperature: 1.350000
Total energy: -572.198197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.198197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.598197 (E_RNA)
where:
Base-Base interactions energy: -350.710
where: short stacking energy: -146.737
Base-Backbone interact. energy: 3.412
local terms energy: -176.300164
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -59.811
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: 9.577
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. 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: -1228.558556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.558556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.758556 (E_RNA)
where:
Base-Base interactions energy: -728.958
where: short stacking energy: -310.340
Base-Backbone interact. energy: 2.125
local terms energy: -346.925819
where:
bonds (distance) C4'-P energy: -71.982
bonds (distance) P-C4' energy: -65.983
flat angles C4'-P-C4' energy: -80.925
flat angles P-C4'-P energy: -53.886
tors. eta vs tors. theta energy: -74.150
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. 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: -1196.413900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.413900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.013900 (E_RNA)
where:
Base-Base interactions energy: -712.738
where: short stacking energy: -322.695
Base-Backbone interact. energy: -0.539
local terms energy: -351.736957
where:
bonds (distance) C4'-P energy: -71.489
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -78.195
flat angles P-C4'-P energy: -52.616
tors. eta vs tors. theta energy: -79.278
Dist. restrs. and SS energy: -131.400 (S_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: 15
Temperature: 1.000000
Total energy: -1039.393045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.393045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.593045 (E_RNA)
where:
Base-Base interactions energy: -598.134
where: short stacking energy: -249.537
Base-Backbone interact. energy: -0.946
local terms energy: -303.513254
where:
bonds (distance) C4'-P energy: -77.140
bonds (distance) P-C4' energy: -73.153
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -47.902
Dist. restrs. and SS energy: -136.800 (S_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: 15
Temperature: 1.050000
Total energy: -1051.840576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.840576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.040576 (E_RNA)
where:
Base-Base interactions energy: -639.178
where: short stacking energy: -258.251
Base-Backbone interact. energy: -2.494
local terms energy: -318.369387
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -67.580
flat angles C4'-P-C4' energy: -63.188
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -67.966
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -968.722051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.722051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.722051 (E_RNA)
where:
Base-Base interactions energy: -592.309
where: short stacking energy: -261.486
Base-Backbone interact. energy: -0.741
local terms energy: -267.671955
where:
bonds (distance) C4'-P energy: -56.679
bonds (distance) P-C4' energy: -61.007
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -44.843
tors. eta vs tors. theta energy: -45.015
Dist. restrs. and SS energy: -108.000 (S_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: 15
Temperature: 1.150000
Total energy: -866.450300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.450300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.850300 (E_RNA)
where:
Base-Base interactions energy: -496.420
where: short stacking energy: -195.795
Base-Backbone interact. energy: -0.759
local terms energy: -275.672169
where:
bonds (distance) C4'-P energy: -57.297
bonds (distance) P-C4' energy: -75.826
flat angles C4'-P-C4' energy: -58.186
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: -47.221
Dist. restrs. and SS energy: -93.600 (S_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: 15
Temperature: 1.200000
Total energy: -855.342747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.342747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.142747 (E_RNA)
where:
Base-Base interactions energy: -505.914
where: short stacking energy: -219.843
Base-Backbone interact. energy: -0.710
local terms energy: -242.519074
where:
bonds (distance) C4'-P energy: -60.644
bonds (distance) P-C4' energy: -61.036
flat angles C4'-P-C4' energy: -59.952
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: -106.200 (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: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -734.295692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.295692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.495692 (E_RNA)
where:
Base-Base interactions energy: -382.621
where: short stacking energy: -192.377
Base-Backbone interact. energy: 2.405
local terms energy: -253.278781
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -30.553
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -647.250422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.250422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.450422 (E_RNA)
where:
Base-Base interactions energy: -335.094
where: short stacking energy: -155.296
Base-Backbone interact. energy: -2.268
local terms energy: -227.087905
where:
bonds (distance) C4'-P energy: -62.207
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -54.329
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: -82.800 (S_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: 15
Temperature: 1.350000
Total energy: -553.913127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.913127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.713127 (E_RNA)
where:
Base-Base interactions energy: -308.510
where: short stacking energy: -155.069
Base-Backbone interact. energy: -0.386
local terms energy: -201.817930
where:
bonds (distance) C4'-P energy: -54.019
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -51.263
flat angles P-C4'-P energy: -32.151
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. 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: -1219.911047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.911047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.111047 (E_RNA)
where:
Base-Base interactions energy: -692.336
where: short stacking energy: -310.494
Base-Backbone interact. energy: -0.354
local terms energy: -372.421253
where:
bonds (distance) C4'-P energy: -79.189
bonds (distance) P-C4' energy: -77.856
flat angles C4'-P-C4' energy: -81.930
flat angles P-C4'-P energy: -56.232
tors. eta vs tors. theta energy: -77.215
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. 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: -1214.999421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.999421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.399421 (E_RNA)
where:
Base-Base interactions energy: -727.441
where: short stacking energy: -310.485
Base-Backbone interact. energy: 0.302
local terms energy: -358.261049
where:
bonds (distance) C4'-P energy: -70.069
bonds (distance) P-C4' energy: -63.399
flat angles C4'-P-C4' energy: -80.410
flat angles P-C4'-P energy: -58.641
tors. eta vs tors. theta energy: -85.743
Dist. restrs. and SS energy: -129.600 (S_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: 16
Temperature: 1.000000
Total energy: -1142.544200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.544200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.944200 (E_RNA)
where:
Base-Base interactions energy: -699.911
where: short stacking energy: -290.754
Base-Backbone interact. energy: 0.492
local terms energy: -349.524764
where:
bonds (distance) C4'-P energy: -75.276
bonds (distance) P-C4' energy: -73.286
flat angles C4'-P-C4' energy: -72.249
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: -76.596
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1072.526620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.526620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.126620 (E_RNA)
where:
Base-Base interactions energy: -613.663
where: short stacking energy: -276.458
Base-Backbone interact. energy: -0.341
local terms energy: -318.121778
where:
bonds (distance) C4'-P energy: -71.158
bonds (distance) P-C4' energy: -65.087
flat angles C4'-P-C4' energy: -71.027
flat angles P-C4'-P energy: -48.522
tors. eta vs tors. theta energy: -62.327
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1003.436949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.436949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.036949 (E_RNA)
where:
Base-Base interactions energy: -595.723
where: short stacking energy: -253.289
Base-Backbone interact. energy: -1.904
local terms energy: -301.410777
where:
bonds (distance) C4'-P energy: -52.108
bonds (distance) P-C4' energy: -68.895
flat angles C4'-P-C4' energy: -74.089
flat angles P-C4'-P energy: -46.015
tors. eta vs tors. theta energy: -60.303
Dist. restrs. and SS energy: -104.400 (S_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: 16
Temperature: 1.150000
Total energy: -873.656463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.656463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.656463 (E_RNA)
where:
Base-Base interactions energy: -491.446
where: short stacking energy: -205.565
Base-Backbone interact. energy: -1.875
local terms energy: -281.336234
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -65.019
flat angles C4'-P-C4' energy: -67.185
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -54.445
Dist. restrs. and SS energy: -99.000 (S_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: 16
Temperature: 1.200000
Total energy: -894.275117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.275117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.275117 (E_RNA)
where:
Base-Base interactions energy: -504.968
where: short stacking energy: -229.363
Base-Backbone interact. energy: -1.554
local terms energy: -279.753157
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -64.485
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -44.124
tors. eta vs tors. theta energy: -49.798
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. 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: -768.506390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.506390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.506390 (E_RNA)
where:
Base-Base interactions energy: -417.541
where: short stacking energy: -199.328
Base-Backbone interact. energy: 1.857
local terms energy: -226.821681
where:
bonds (distance) C4'-P energy: -54.962
bonds (distance) P-C4' energy: -54.195
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -29.080
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -671.291300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.291300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.491300 (E_RNA)
where:
Base-Base interactions energy: -350.787
where: short stacking energy: -169.156
Base-Backbone interact. energy: 1.149
local terms energy: -229.854020
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -65.359
flat angles C4'-P-C4' energy: -62.244
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: -91.800 (S_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: 16
Temperature: 1.350000
Total energy: -554.787480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.787480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.387480 (E_RNA)
where:
Base-Base interactions energy: -303.269
where: short stacking energy: -134.283
Base-Backbone interact. energy: -2.542
local terms energy: -207.576043
where:
bonds (distance) C4'-P energy: -59.176
bonds (distance) P-C4' energy: -61.000
flat angles C4'-P-C4' energy: -63.502
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. 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: -1243.702210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.702210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.102210 (E_RNA)
where:
Base-Base interactions energy: -758.870
where: short stacking energy: -321.334
Base-Backbone interact. energy: -1.917
local terms energy: -326.315224
where:
bonds (distance) C4'-P energy: -70.383
bonds (distance) P-C4' energy: -72.834
flat angles C4'-P-C4' energy: -73.161
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -68.222
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. 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: -1217.253706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.253706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.053706 (E_RNA)
where:
Base-Base interactions energy: -717.589
where: short stacking energy: -321.039
Base-Backbone interact. energy: -1.544
local terms energy: -364.921305
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -80.842
flat angles P-C4'-P energy: -61.238
tors. eta vs tors. theta energy: -83.361
Dist. restrs. and SS energy: -133.200 (S_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: 17
Temperature: 1.000000
Total energy: -1168.539784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.539784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.939784 (E_RNA)
where:
Base-Base interactions energy: -720.431
where: short stacking energy: -307.830
Base-Backbone interact. energy: -1.990
local terms energy: -352.518562
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -68.960
flat angles C4'-P-C4' energy: -79.961
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -88.841
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1078.383644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.383644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.583644 (E_RNA)
where:
Base-Base interactions energy: -623.160
where: short stacking energy: -288.088
Base-Backbone interact. energy: -1.387
local terms energy: -308.037219
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -59.719
flat angles C4'-P-C4' energy: -72.071
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -74.040
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1067.458350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.458350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.258350 (E_RNA)
where:
Base-Base interactions energy: -675.228
where: short stacking energy: -285.109
Base-Backbone interact. energy: 0.216
local terms energy: -286.246713
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -68.092
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -67.462
Dist. restrs. and SS energy: -106.200 (S_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: 17
Temperature: 1.150000
Total energy: -941.394600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.394600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.394600 (E_RNA)
where:
Base-Base interactions energy: -539.803
where: short stacking energy: -238.042
Base-Backbone interact. energy: -1.202
local terms energy: -292.388777
where:
bonds (distance) C4'-P energy: -69.701
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -66.936
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -51.595
Dist. restrs. and SS energy: -108.000 (S_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: 17
Temperature: 1.200000
Total energy: -863.050145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.050145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.250145 (E_RNA)
where:
Base-Base interactions energy: -507.193
where: short stacking energy: -214.520
Base-Backbone interact. energy: 3.405
local terms energy: -267.462007
where:
bonds (distance) C4'-P energy: -66.176
bonds (distance) P-C4' energy: -60.592
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -40.565
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. 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: -863.008066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.008066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.808066 (E_RNA)
where:
Base-Base interactions energy: -460.363
where: short stacking energy: -196.729
Base-Backbone interact. energy: 1.363
local terms energy: -261.808769
where:
bonds (distance) C4'-P energy: -58.495
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: -142.200 (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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -675.873245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.873245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.073245 (E_RNA)
where:
Base-Base interactions energy: -335.257
where: short stacking energy: -151.266
Base-Backbone interact. energy: -1.306
local terms energy: -247.510639
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -58.074
flat angles C4'-P-C4' energy: -58.959
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: -91.800 (S_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: 17
Temperature: 1.350000
Total energy: -558.527999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.527999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.127999 (E_RNA)
where:
Base-Base interactions energy: -295.194
where: short stacking energy: -148.251
Base-Backbone interact. energy: 2.010
local terms energy: -223.943854
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -61.438
flat angles C4'-P-C4' energy: -65.994
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. 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: -1244.610359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.610359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.410359 (E_RNA)
where:
Base-Base interactions energy: -725.538
where: short stacking energy: -323.925
Base-Backbone interact. energy: -2.816
local terms energy: -383.056493
where:
bonds (distance) C4'-P energy: -79.256
bonds (distance) P-C4' energy: -76.648
flat angles C4'-P-C4' energy: -88.095
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -88.636
Dist. restrs. and SS energy: -133.200 (S_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: -1206.785747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.785747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.985747 (E_RNA)
where:
Base-Base interactions energy: -713.007
where: short stacking energy: -307.249
Base-Backbone interact. energy: -3.404
local terms energy: -335.574719
where:
bonds (distance) C4'-P energy: -63.253
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -71.123
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -78.631
Dist. restrs. and SS energy: -154.800 (S_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: 18
Temperature: 1.000000
Total energy: -1164.805016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.805016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.005016 (E_RNA)
where:
Base-Base interactions energy: -698.715
where: short stacking energy: -308.209
Base-Backbone interact. energy: -0.693
local terms energy: -373.596652
where:
bonds (distance) C4'-P energy: -78.329
bonds (distance) P-C4' energy: -77.155
flat angles C4'-P-C4' energy: -80.946
flat angles P-C4'-P energy: -51.708
tors. eta vs tors. theta energy: -85.458
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1074.690195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.690195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.890195 (E_RNA)
where:
Base-Base interactions energy: -618.334
where: short stacking energy: -280.183
Base-Backbone interact. energy: -2.361
local terms energy: -308.195008
where:
bonds (distance) C4'-P energy: -56.444
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -73.768
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1053.999487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.999487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.999487 (E_RNA)
where:
Base-Base interactions energy: -651.026
where: short stacking energy: -258.601
Base-Backbone interact. energy: 1.687
local terms energy: -296.660690
where:
bonds (distance) C4'-P energy: -58.457
bonds (distance) P-C4' energy: -65.599
flat angles C4'-P-C4' energy: -64.514
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -57.938
Dist. restrs. and SS energy: -108.000 (S_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: 18
Temperature: 1.150000
Total energy: -955.681988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.681988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.481988 (E_RNA)
where:
Base-Base interactions energy: -560.891
where: short stacking energy: -255.322
Base-Backbone interact. energy: -1.583
local terms energy: -287.007200
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -73.472
flat angles C4'-P-C4' energy: -64.484
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -52.170
Dist. restrs. and SS energy: -106.200 (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: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -896.308388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.308388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.108388 (E_RNA)
where:
Base-Base interactions energy: -480.278
where: short stacking energy: -201.522
Base-Backbone interact. energy: -3.753
local terms energy: -270.077651
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -70.988
flat angles C4'-P-C4' energy: -63.606
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -39.174
Dist. restrs. and SS energy: -142.200 (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: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -831.171260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.171260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.771260 (E_RNA)
where:
Base-Base interactions energy: -487.717
where: short stacking energy: -213.894
Base-Backbone interact. energy: 2.388
local terms energy: -250.441787
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -47.140
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -31.545
Dist. restrs. and SS energy: -95.400 (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: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -726.807769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.807769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.807769 (E_RNA)
where:
Base-Base interactions energy: -380.433
where: short stacking energy: -172.088
Base-Backbone interact. energy: -1.946
local terms energy: -254.428899
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -73.895
flat angles C4'-P-C4' energy: -73.307
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: -90.000 (S_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: 18
Temperature: 1.350000
Total energy: -474.186535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.186535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.986535 (E_RNA)
where:
Base-Base interactions energy: -223.461
where: short stacking energy: -140.158
Base-Backbone interact. energy: 2.521
local terms energy: -210.046109
where:
bonds (distance) C4'-P energy: -57.146
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -65.738
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. 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: -1262.717187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.717187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.117187 (E_RNA)
where:
Base-Base interactions energy: -744.849
where: short stacking energy: -319.593
Base-Backbone interact. energy: -1.994
local terms energy: -377.274074
where:
bonds (distance) C4'-P energy: -78.606
bonds (distance) P-C4' energy: -75.435
flat angles C4'-P-C4' energy: -73.122
flat angles P-C4'-P energy: -58.787
tors. eta vs tors. theta energy: -91.325
Dist. restrs. and SS energy: -138.600 (S_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: 19
Temperature: 0.950000
Total energy: -1206.915928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.915928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.515928 (E_RNA)
where:
Base-Base interactions energy: -713.683
where: short stacking energy: -300.545
Base-Backbone interact. energy: 1.772
local terms energy: -336.605402
where:
bonds (distance) C4'-P energy: -66.413
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -70.640
flat angles P-C4'-P energy: -53.676
tors. eta vs tors. theta energy: -67.064
Dist. restrs. and SS energy: -158.400 (S_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: 19
Temperature: 1.000000
Total energy: -1139.581066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.581066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.981066 (E_RNA)
where:
Base-Base interactions energy: -689.409
where: short stacking energy: -329.561
Base-Backbone interact. energy: 0.120
local terms energy: -356.691943
where:
bonds (distance) C4'-P energy: -59.526
bonds (distance) P-C4' energy: -73.999
flat angles C4'-P-C4' energy: -78.543
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: -91.745
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1084.963607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.963607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.163607 (E_RNA)
where:
Base-Base interactions energy: -643.789
where: short stacking energy: -280.874
Base-Backbone interact. energy: 1.906
local terms energy: -297.280578
where:
bonds (distance) C4'-P energy: -61.212
bonds (distance) P-C4' energy: -73.690
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -60.067
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1040.859617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.859617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.659617 (E_RNA)
where:
Base-Base interactions energy: -632.494
where: short stacking energy: -269.043
Base-Backbone interact. energy: -1.397
local terms energy: -300.768633
where:
bonds (distance) C4'-P energy: -66.698
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -71.672
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: -106.200 (S_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: -952.221085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.221085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.421085 (E_RNA)
where:
Base-Base interactions energy: -509.701
where: short stacking energy: -207.143
Base-Backbone interact. energy: -1.151
local terms energy: -286.569324
where:
bonds (distance) C4'-P energy: -63.813
bonds (distance) P-C4' energy: -73.847
flat angles C4'-P-C4' energy: -66.890
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -36.725
Dist. restrs. and SS energy: -154.800 (S_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: 19
Temperature: 1.200000
Total energy: -895.952493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.952493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.552493 (E_RNA)
where:
Base-Base interactions energy: -512.601
where: short stacking energy: -211.666
Base-Backbone interact. energy: -0.586
local terms energy: -278.365316
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -54.840
Dist. restrs. and SS energy: -104.400 (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: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -839.163695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.163695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.963695 (E_RNA)
where:
Base-Base interactions energy: -470.300
where: short stacking energy: -196.698
Base-Backbone interact. energy: -1.505
local terms energy: -270.158833
where:
bonds (distance) C4'-P energy: -55.317
bonds (distance) P-C4' energy: -62.348
flat angles C4'-P-C4' energy: -66.990
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -40.016
Dist. restrs. and SS energy: -97.200 (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: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -755.110440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.110440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.510440 (E_RNA)
where:
Base-Base interactions energy: -399.550
where: short stacking energy: -177.570
Base-Backbone interact. energy: -1.870
local terms energy: -260.090894
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -68.892
flat angles P-C4'-P energy: -42.487
tors. eta vs tors. theta energy: -32.233
Dist. restrs. and SS energy: -93.600 (S_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: 19
Temperature: 1.350000
Total energy: -488.180363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.180363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.580363 (E_RNA)
where:
Base-Base interactions energy: -227.976
where: short stacking energy: -130.540
Base-Backbone interact. energy: -2.120
local terms energy: -218.484830
where:
bonds (distance) C4'-P energy: -61.701
bonds (distance) P-C4' energy: -54.264
flat angles C4'-P-C4' energy: -63.420
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1255.950759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.950759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.350759 (E_RNA)
where:
Base-Base interactions energy: -744.211
where: short stacking energy: -295.829
Base-Backbone interact. energy: -2.912
local terms energy: -352.227207
where:
bonds (distance) C4'-P energy: -71.591
bonds (distance) P-C4' energy: -70.217
flat angles C4'-P-C4' energy: -81.153
flat angles P-C4'-P energy: -57.184
tors. eta vs tors. theta energy: -72.082
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. 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: -1214.054612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.054612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.854612 (E_RNA)
where:
Base-Base interactions energy: -729.857
where: short stacking energy: -317.609
Base-Backbone interact. energy: -1.808
local terms energy: -349.190010
where:
bonds (distance) C4'-P energy: -68.961
bonds (distance) P-C4' energy: -75.366
flat angles C4'-P-C4' energy: -75.665
flat angles P-C4'-P energy: -44.411
tors. eta vs tors. theta energy: -84.786
Dist. restrs. and SS energy: -133.200 (S_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: 20
Temperature: 1.000000
Total energy: -1156.154386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.154386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.754386 (E_RNA)
where:
Base-Base interactions energy: -696.648
where: short stacking energy: -321.864
Base-Backbone interact. energy: 0.108
local terms energy: -364.214391
where:
bonds (distance) C4'-P energy: -67.413
bonds (distance) P-C4' energy: -76.303
flat angles C4'-P-C4' energy: -78.945
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -92.579
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1095.739868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.739868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.339868 (E_RNA)
where:
Base-Base interactions energy: -632.012
where: short stacking energy: -282.948
Base-Backbone interact. energy: 0.830
local terms energy: -324.158011
where:
bonds (distance) C4'-P energy: -64.283
bonds (distance) P-C4' energy: -71.115
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: -69.426
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1034.544589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.544589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.344589 (E_RNA)
where:
Base-Base interactions energy: -606.321
where: short stacking energy: -249.303
Base-Backbone interact. energy: 0.124
local terms energy: -322.148118
where:
bonds (distance) C4'-P energy: -70.433
bonds (distance) P-C4' energy: -77.705
flat angles C4'-P-C4' energy: -70.556
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -66.371
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1016.065166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.065166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.265166 (E_RNA)
where:
Base-Base interactions energy: -568.609
where: short stacking energy: -242.494
Base-Backbone interact. energy: -3.069
local terms energy: -298.587519
where:
bonds (distance) C4'-P energy: -73.567
bonds (distance) P-C4' energy: -71.569
flat angles C4'-P-C4' energy: -63.675
flat angles P-C4'-P energy: -40.648
tors. eta vs tors. theta energy: -49.128
Dist. restrs. and SS energy: -145.800 (S_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: 20
Temperature: 1.200000
Total energy: -921.988729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.988729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.388729 (E_RNA)
where:
Base-Base interactions energy: -538.222
where: short stacking energy: -258.164
Base-Backbone interact. energy: -1.032
local terms energy: -280.134950
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -64.316
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -43.882
tors. eta vs tors. theta energy: -49.557
Dist. restrs. and SS energy: -102.600 (S_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: 20
Temperature: 1.250000
Total energy: -831.640904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.640904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.240904 (E_RNA)
where:
Base-Base interactions energy: -457.915
where: short stacking energy: -199.191
Base-Backbone interact. energy: -2.269
local terms energy: -267.056455
where:
bonds (distance) C4'-P energy: -55.286
bonds (distance) P-C4' energy: -74.513
flat angles C4'-P-C4' energy: -64.969
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -36.100
Dist. restrs. and SS energy: -104.400 (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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -730.326521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.326521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.126521 (E_RNA)
where:
Base-Base interactions energy: -403.316
where: short stacking energy: -190.392
Base-Backbone interact. energy: -0.095
local terms energy: -238.715982
where:
bonds (distance) C4'-P energy: -51.406
bonds (distance) P-C4' energy: -56.418
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -40.302
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: -88.200 (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: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -581.805794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.805794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.005794 (E_RNA)
where:
Base-Base interactions energy: -279.870
where: short stacking energy: -131.861
Base-Backbone interact. energy: -0.892
local terms energy: -218.243832
where:
bonds (distance) C4'-P energy: -71.359
bonds (distance) P-C4' energy: -59.935
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1264.473886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.473886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.673886 (E_RNA)
where:
Base-Base interactions energy: -752.093
where: short stacking energy: -314.440
Base-Backbone interact. energy: -2.350
local terms energy: -355.231521
where:
bonds (distance) C4'-P energy: -66.331
bonds (distance) P-C4' energy: -73.346
flat angles C4'-P-C4' energy: -71.545
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -81.999
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. 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: -1222.548900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.548900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.748900 (E_RNA)
where:
Base-Base interactions energy: -729.228
where: short stacking energy: -304.893
Base-Backbone interact. energy: -0.241
local terms energy: -356.280276
where:
bonds (distance) C4'-P energy: -69.715
bonds (distance) P-C4' energy: -75.778
flat angles C4'-P-C4' energy: -81.616
flat angles P-C4'-P energy: -51.357
tors. eta vs tors. theta energy: -77.815
Dist. restrs. and SS energy: -136.800 (S_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: 21
Temperature: 1.000000
Total energy: -1173.965186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.965186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.365186 (E_RNA)
where:
Base-Base interactions energy: -718.014
where: short stacking energy: -331.896
Base-Backbone interact. energy: -0.218
local terms energy: -362.133263
where:
bonds (distance) C4'-P energy: -67.672
bonds (distance) P-C4' energy: -67.169
flat angles C4'-P-C4' energy: -75.931
flat angles P-C4'-P energy: -58.141
tors. eta vs tors. theta energy: -93.220
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1116.957258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.957258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.557258 (E_RNA)
where:
Base-Base interactions energy: -691.006
where: short stacking energy: -281.230
Base-Backbone interact. energy: -2.933
local terms energy: -318.618078
where:
bonds (distance) C4'-P energy: -65.207
bonds (distance) P-C4' energy: -62.630
flat angles C4'-P-C4' energy: -73.276
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: -72.807
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1036.574663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.574663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.374663 (E_RNA)
where:
Base-Base interactions energy: -599.394
where: short stacking energy: -275.517
Base-Backbone interact. energy: -0.576
local terms energy: -294.403779
where:
bonds (distance) C4'-P energy: -59.062
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -62.441
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -69.910
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1038.204421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.204421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.204421 (E_RNA)
where:
Base-Base interactions energy: -577.016
where: short stacking energy: -239.271
Base-Backbone interact. energy: -1.710
local terms energy: -288.478101
where:
bonds (distance) C4'-P energy: -60.188
bonds (distance) P-C4' energy: -63.701
flat angles C4'-P-C4' energy: -68.679
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -56.503
Dist. restrs. and SS energy: -171.000 (S_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: -930.187005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.187005 (E_RNA)
where:
Base-Base interactions energy: -522.685
where: short stacking energy: -249.977
Base-Backbone interact. energy: 0.010
local terms energy: -299.511800
where:
bonds (distance) C4'-P energy: -65.313
bonds (distance) P-C4' energy: -71.022
flat angles C4'-P-C4' energy: -73.269
flat angles P-C4'-P energy: -38.322
tors. eta vs tors. theta energy: -51.586
Dist. restrs. and SS energy: -108.000 (S_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: 21
Temperature: 1.250000
Total energy: -836.969568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.969568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.369568 (E_RNA)
where:
Base-Base interactions energy: -502.552
where: short stacking energy: -224.181
Base-Backbone interact. energy: 1.250
local terms energy: -233.067833
where:
bonds (distance) C4'-P energy: -45.372
bonds (distance) P-C4' energy: -62.409
flat angles C4'-P-C4' energy: -53.457
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -37.686
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -697.909938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.909938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.909938 (E_RNA)
where:
Base-Base interactions energy: -380.254
where: short stacking energy: -173.741
Base-Backbone interact. energy: -1.843
local terms energy: -225.812732
where:
bonds (distance) C4'-P energy: -59.246
bonds (distance) P-C4' energy: -66.155
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -24.550
Dist. restrs. and SS energy: -90.000 (S_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: -618.602983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.602983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.602983 (E_RNA)
where:
Base-Base interactions energy: -306.450
where: short stacking energy: -132.172
Base-Backbone interact. energy: -1.979
local terms energy: -220.174072
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1261.177717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.177717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.577717 (E_RNA)
where:
Base-Base interactions energy: -759.679
where: short stacking energy: -312.419
Base-Backbone interact. energy: -1.985
local terms energy: -333.913538
where:
bonds (distance) C4'-P energy: -76.133
bonds (distance) P-C4' energy: -67.176
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -43.498
tors. eta vs tors. theta energy: -74.329
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. 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: -1236.293796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.293796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.693796 (E_RNA)
where:
Base-Base interactions energy: -743.935
where: short stacking energy: -308.503
Base-Backbone interact. energy: -1.638
local terms energy: -352.121276
where:
bonds (distance) C4'-P energy: -69.466
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -48.516
tors. eta vs tors. theta energy: -91.083
Dist. restrs. and SS energy: -138.600 (S_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: 22
Temperature: 1.000000
Total energy: -1150.128968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.128968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.728968 (E_RNA)
where:
Base-Base interactions energy: -696.739
where: short stacking energy: -300.358
Base-Backbone interact. energy: -2.362
local terms energy: -355.627075
where:
bonds (distance) C4'-P energy: -68.873
bonds (distance) P-C4' energy: -68.429
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -54.319
tors. eta vs tors. theta energy: -78.419
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1119.127025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.127025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.527025 (E_RNA)
where:
Base-Base interactions energy: -690.732
where: short stacking energy: -302.112
Base-Backbone interact. energy: 1.999
local terms energy: -327.794016
where:
bonds (distance) C4'-P energy: -61.421
bonds (distance) P-C4' energy: -64.866
flat angles C4'-P-C4' energy: -76.602
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -81.779
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. 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: -1030.239724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.239724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.439724 (E_RNA)
where:
Base-Base interactions energy: -590.920
where: short stacking energy: -260.818
Base-Backbone interact. energy: -0.216
local terms energy: -293.303356
where:
bonds (distance) C4'-P energy: -68.539
bonds (distance) P-C4' energy: -60.425
flat angles C4'-P-C4' energy: -66.634
flat angles P-C4'-P energy: -39.101
tors. eta vs tors. theta energy: -58.604
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1087.588370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.588370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.188370 (E_RNA)
where:
Base-Base interactions energy: -612.744
where: short stacking energy: -249.021
Base-Backbone interact. energy: -2.214
local terms energy: -305.230381
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -71.222
flat angles C4'-P-C4' energy: -70.585
flat angles P-C4'-P energy: -44.647
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -884.007776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.007776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.807776 (E_RNA)
where:
Base-Base interactions energy: -509.096
where: short stacking energy: -234.557
Base-Backbone interact. energy: -0.968
local terms energy: -267.743700
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -55.912
flat angles C4'-P-C4' energy: -65.502
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -50.228
Dist. restrs. and SS energy: -106.200 (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: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -881.180747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.180747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.180747 (E_RNA)
where:
Base-Base interactions energy: -500.124
where: short stacking energy: -199.699
Base-Backbone interact. energy: -2.364
local terms energy: -252.693187
where:
bonds (distance) C4'-P energy: -59.660
bonds (distance) P-C4' energy: -51.982
flat angles C4'-P-C4' energy: -70.176
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -47.478
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -704.980701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.980701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.780701 (E_RNA)
where:
Base-Base interactions energy: -378.153
where: short stacking energy: -165.506
Base-Backbone interact. energy: -0.547
local terms energy: -220.080835
where:
bonds (distance) C4'-P energy: -62.351
bonds (distance) P-C4' energy: -57.696
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: -106.200 (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: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -724.766246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.766246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.766246 (E_RNA)
where:
Base-Base interactions energy: -376.801
where: short stacking energy: -146.140
Base-Backbone interact. energy: 1.020
local terms energy: -240.984755
where:
bonds (distance) C4'-P energy: -56.616
bonds (distance) P-C4' energy: -66.553
flat angles C4'-P-C4' energy: -52.764
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -26.620
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1270.517771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.517771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.317771 (E_RNA)
where:
Base-Base interactions energy: -749.695
where: short stacking energy: -309.345
Base-Backbone interact. energy: -3.149
local terms energy: -357.474433
where:
bonds (distance) C4'-P energy: -73.542
bonds (distance) P-C4' energy: -76.254
flat angles C4'-P-C4' energy: -75.068
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -79.709
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. 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: -1260.327701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.327701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.927701 (E_RNA)
where:
Base-Base interactions energy: -751.423
where: short stacking energy: -335.746
Base-Backbone interact. energy: -1.746
local terms energy: -357.758173
where:
bonds (distance) C4'-P energy: -74.650
bonds (distance) P-C4' energy: -79.904
flat angles C4'-P-C4' energy: -75.828
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -88.356
Dist. restrs. and SS energy: -149.400 (S_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: 23
Temperature: 1.000000
Total energy: -1163.868544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.868544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.268544 (E_RNA)
where:
Base-Base interactions energy: -728.188
where: short stacking energy: -331.281
Base-Backbone interact. energy: -1.239
local terms energy: -340.841425
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -66.300
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -86.830
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1128.012026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.012026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.012026 (E_RNA)
where:
Base-Base interactions energy: -722.410
where: short stacking energy: -301.020
Base-Backbone interact. energy: -2.220
local terms energy: -295.381500
where:
bonds (distance) C4'-P energy: -59.335
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -72.255
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -77.635
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. 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: -1011.120511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.120511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.920511 (E_RNA)
where:
Base-Base interactions energy: -566.450
where: short stacking energy: -263.810
Base-Backbone interact. energy: 0.367
local terms energy: -302.838229
where:
bonds (distance) C4'-P energy: -61.945
bonds (distance) P-C4' energy: -60.278
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -65.752
Dist. restrs. and SS energy: -142.200 (S_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: 23
Temperature: 1.150000
Total energy: -1113.721278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.721278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.321278 (E_RNA)
where:
Base-Base interactions energy: -657.844
where: short stacking energy: -282.592
Base-Backbone interact. energy: -2.312
local terms energy: -286.165510
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -55.220
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -65.403
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -859.197790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.197790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.997790 (E_RNA)
where:
Base-Base interactions energy: -491.961
where: short stacking energy: -218.490
Base-Backbone interact. energy: -1.665
local terms energy: -259.371559
where:
bonds (distance) C4'-P energy: -68.583
bonds (distance) P-C4' energy: -67.185
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -43.928
Dist. restrs. and SS energy: -106.200 (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: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -910.683904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.683904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.483904 (E_RNA)
where:
Base-Base interactions energy: -517.317
where: short stacking energy: -216.935
Base-Backbone interact. energy: -1.706
local terms energy: -276.461486
where:
bonds (distance) C4'-P energy: -67.958
bonds (distance) P-C4' energy: -60.302
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -53.767
Dist. restrs. and SS energy: -115.200 (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: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -817.619755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.619755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.619755 (E_RNA)
where:
Base-Base interactions energy: -452.111
where: short stacking energy: -183.844
Base-Backbone interact. energy: -1.412
local terms energy: -229.096108
where:
bonds (distance) C4'-P energy: -49.211
bonds (distance) P-C4' energy: -64.160
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -34.350
tors. eta vs tors. theta energy: -32.428
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -771.835608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.835608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.035608 (E_RNA)
where:
Base-Base interactions energy: -424.790
where: short stacking energy: -167.284
Base-Backbone interact. energy: -1.834
local terms energy: -217.411876
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -59.281
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1272.531707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.531707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.131707 (E_RNA)
where:
Base-Base interactions energy: -754.496
where: short stacking energy: -320.233
Base-Backbone interact. energy: -3.442
local terms energy: -365.193762
where:
bonds (distance) C4'-P energy: -76.723
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -52.080
tors. eta vs tors. theta energy: -87.876
Dist. restrs. and SS energy: -149.400 (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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1263.410603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.410603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.810603 (E_RNA)
where:
Base-Base interactions energy: -757.136
where: short stacking energy: -296.878
Base-Backbone interact. energy: -1.940
local terms energy: -338.735103
where:
bonds (distance) C4'-P energy: -72.177
bonds (distance) P-C4' energy: -87.704
flat angles C4'-P-C4' energy: -67.957
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -68.304
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1167.767895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.767895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.767895 (E_RNA)
where:
Base-Base interactions energy: -713.413
where: short stacking energy: -306.508
Base-Backbone interact. energy: -3.636
local terms energy: -342.719473
where:
bonds (distance) C4'-P energy: -62.730
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -72.731
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -81.257
Dist. restrs. and SS energy: -108.000 (S_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: 24
Temperature: 1.050000
Total energy: -1097.147007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.147007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.347007 (E_RNA)
where:
Base-Base interactions energy: -669.754
where: short stacking energy: -304.049
Base-Backbone interact. energy: -0.397
local terms energy: -335.195834
where:
bonds (distance) C4'-P energy: -62.692
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -76.167
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: -78.572
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1105.859379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.859379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.659379 (E_RNA)
where:
Base-Base interactions energy: -616.136
where: short stacking energy: -238.406
Base-Backbone interact. energy: -3.584
local terms energy: -307.939397
where:
bonds (distance) C4'-P energy: -76.626
bonds (distance) P-C4' energy: -59.673
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -45.429
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. 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: -985.823519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.823519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.623519 (E_RNA)
where:
Base-Base interactions energy: -556.258
where: short stacking energy: -229.899
Base-Backbone interact. energy: -0.707
local terms energy: -286.658142
where:
bonds (distance) C4'-P energy: -59.509
bonds (distance) P-C4' energy: -58.497
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -52.417
tors. eta vs tors. theta energy: -53.858
Dist. restrs. and SS energy: -142.200 (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: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -971.274869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.274869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.074869 (E_RNA)
where:
Base-Base interactions energy: -575.741
where: short stacking energy: -229.576
Base-Backbone interact. energy: 1.631
local terms energy: -272.964190
where:
bonds (distance) C4'-P energy: -53.658
bonds (distance) P-C4' energy: -61.097
flat angles C4'-P-C4' energy: -67.712
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -43.928
Dist. restrs. and SS energy: -124.200 (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: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -859.330087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.330087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.130087 (E_RNA)
where:
Base-Base interactions energy: -473.752
where: short stacking energy: -217.627
Base-Backbone interact. energy: -1.374
local terms energy: -278.003279
where:
bonds (distance) C4'-P energy: -60.472
bonds (distance) P-C4' energy: -63.896
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -54.826
Dist. restrs. and SS energy: -106.200 (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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -899.909691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.909691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.709691 (E_RNA)
where:
Base-Base interactions energy: -506.220
where: short stacking energy: -206.281
Base-Backbone interact. energy: -0.194
local terms energy: -251.295522
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -63.135
flat angles C4'-P-C4' energy: -59.799
flat angles P-C4'-P energy: -34.989
tors. eta vs tors. theta energy: -38.225
Dist. restrs. and SS energy: -142.200 (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: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -732.270523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.270523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.270523 (E_RNA)
where:
Base-Base interactions energy: -408.129
where: short stacking energy: -163.361
Base-Backbone interact. energy: -0.516
local terms energy: -206.624840
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -56.760
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: -117.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1266.359532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.359532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.559532 (E_RNA)
where:
Base-Base interactions energy: -753.011
where: short stacking energy: -320.722
Base-Backbone interact. energy: -3.504
local terms energy: -364.045426
where:
bonds (distance) C4'-P energy: -74.779
bonds (distance) P-C4' energy: -73.051
flat angles C4'-P-C4' energy: -74.000
flat angles P-C4'-P energy: -53.965
tors. eta vs tors. theta energy: -88.250
Dist. restrs. and SS energy: -145.800 (S_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: 25
Temperature: 0.950000
Total energy: -1261.404965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.404965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.404965 (E_RNA)
where:
Base-Base interactions energy: -756.606
where: short stacking energy: -289.963
Base-Backbone interact. energy: -0.340
local terms energy: -342.458600
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -75.349
flat angles C4'-P-C4' energy: -69.494
flat angles P-C4'-P energy: -54.174
tors. eta vs tors. theta energy: -71.308
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1137.246279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.246279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.246279 (E_RNA)
where:
Base-Base interactions energy: -679.027
where: short stacking energy: -288.389
Base-Backbone interact. energy: 0.543
local terms energy: -350.762450
where:
bonds (distance) C4'-P energy: -71.053
bonds (distance) P-C4' energy: -73.006
flat angles C4'-P-C4' energy: -81.329
flat angles P-C4'-P energy: -42.464
tors. eta vs tors. theta energy: -82.911
Dist. restrs. and SS energy: -108.000 (S_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: 25
Temperature: 1.050000
Total energy: -1231.821392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.821392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.621392 (E_RNA)
where:
Base-Base interactions energy: -713.729
where: short stacking energy: -293.208
Base-Backbone interact. energy: -2.569
local terms energy: -328.323918
where:
bonds (distance) C4'-P energy: -76.135
bonds (distance) P-C4' energy: -63.561
flat angles C4'-P-C4' energy: -74.345
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -67.777
Dist. restrs. and SS energy: -187.200 (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: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1047.830550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.830550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.230550 (E_RNA)
where:
Base-Base interactions energy: -653.535
where: short stacking energy: -285.138
Base-Backbone interact. energy: 5.489
local terms energy: -306.184454
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -47.892
tors. eta vs tors. theta energy: -66.209
Dist. restrs. and SS energy: -93.600 (S_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: 25
Temperature: 1.150000
Total energy: -983.667883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.667883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.867883 (E_RNA)
where:
Base-Base interactions energy: -569.011
where: short stacking energy: -235.438
Base-Backbone interact. energy: -3.870
local terms energy: -291.987138
where:
bonds (distance) C4'-P energy: -67.516
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -70.790
flat angles P-C4'-P energy: -44.716
tors. eta vs tors. theta energy: -62.337
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. 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: -969.039504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.039504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.639504 (E_RNA)
where:
Base-Base interactions energy: -550.423
where: short stacking energy: -245.853
Base-Backbone interact. energy: 0.776
local terms energy: -260.992052
where:
bonds (distance) C4'-P energy: -67.766
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -57.143
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -57.995
Dist. restrs. and SS energy: -158.400 (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: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -937.144155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.144155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.744155 (E_RNA)
where:
Base-Base interactions energy: -533.215
where: short stacking energy: -227.934
Base-Backbone interact. energy: 4.423
local terms energy: -267.952763
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -59.743
flat angles C4'-P-C4' energy: -75.310
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: -140.400 (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: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -823.446726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.446726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.646726 (E_RNA)
where:
Base-Base interactions energy: -450.959
where: short stacking energy: -200.929
Base-Backbone interact. energy: -0.933
local terms energy: -270.754565
where:
bonds (distance) C4'-P energy: -59.850
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: -100.800 (S_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: 25
Temperature: 1.350000
Total energy: -793.841863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.841863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.841863 (E_RNA)
where:
Base-Base interactions energy: -410.097
where: short stacking energy: -169.092
Base-Backbone interact. energy: 2.497
local terms energy: -251.242029
where:
bonds (distance) C4'-P energy: -53.810
bonds (distance) P-C4' energy: -64.628
flat angles C4'-P-C4' energy: -64.237
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: -33.535
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1289.365494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.365494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.765494 (E_RNA)
where:
Base-Base interactions energy: -779.826
where: short stacking energy: -302.099
Base-Backbone interact. energy: -1.997
local terms energy: -341.942726
where:
bonds (distance) C4'-P energy: -68.253
bonds (distance) P-C4' energy: -79.095
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -69.409
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1251.610286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.610286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.010286 (E_RNA)
where:
Base-Base interactions energy: -746.528
where: short stacking energy: -298.734
Base-Backbone interact. energy: -1.587
local terms energy: -346.894729
where:
bonds (distance) C4'-P energy: -72.791
bonds (distance) P-C4' energy: -72.807
flat angles C4'-P-C4' energy: -81.424
flat angles P-C4'-P energy: -41.947
tors. eta vs tors. theta energy: -77.926
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1272.647456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.647456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.847456 (E_RNA)
where:
Base-Base interactions energy: -747.881
where: short stacking energy: -321.744
Base-Backbone interact. energy: -1.690
local terms energy: -332.276493
where:
bonds (distance) C4'-P energy: -68.017
bonds (distance) P-C4' energy: -66.335
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -79.951
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1116.306985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.306985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.506985 (E_RNA)
where:
Base-Base interactions energy: -679.608
where: short stacking energy: -292.811
Base-Backbone interact. energy: 0.540
local terms energy: -327.438742
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -68.549
flat angles C4'-P-C4' energy: -68.162
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -82.976
Dist. restrs. and SS energy: -109.800 (S_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: 26
Temperature: 1.100000
Total energy: -1042.966490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.966490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.366490 (E_RNA)
where:
Base-Base interactions energy: -638.829
where: short stacking energy: -274.126
Base-Backbone interact. energy: -0.627
local terms energy: -300.910371
where:
bonds (distance) C4'-P energy: -64.132
bonds (distance) P-C4' energy: -70.355
flat angles C4'-P-C4' energy: -67.676
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -53.536
Dist. restrs. and SS energy: -102.600 (S_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: 26
Temperature: 1.150000
Total energy: -1006.277004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.277004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.877004 (E_RNA)
where:
Base-Base interactions energy: -567.603
where: short stacking energy: -208.943
Base-Backbone interact. energy: -0.091
local terms energy: -298.182132
where:
bonds (distance) C4'-P energy: -64.987
bonds (distance) P-C4' energy: -77.300
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -58.067
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -974.399058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.399058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.599058 (E_RNA)
where:
Base-Base interactions energy: -530.387
where: short stacking energy: -236.247
Base-Backbone interact. energy: -1.108
local terms energy: -297.103831
where:
bonds (distance) C4'-P energy: -68.189
bonds (distance) P-C4' energy: -65.819
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: -51.618
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -973.492631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.492631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.692631 (E_RNA)
where:
Base-Base interactions energy: -541.979
where: short stacking energy: -241.770
Base-Backbone interact. energy: -0.631
local terms energy: -267.082575
where:
bonds (distance) C4'-P energy: -55.274
bonds (distance) P-C4' energy: -70.633
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -49.044
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -757.892744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.892744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.692744 (E_RNA)
where:
Base-Base interactions energy: -405.319
where: short stacking energy: -178.372
Base-Backbone interact. energy: -0.145
local terms energy: -246.228518
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -64.231
flat angles C4'-P-C4' energy: -53.772
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -31.135
Dist. restrs. and SS energy: -106.200 (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: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -776.293153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.293153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.293153 (E_RNA)
where:
Base-Base interactions energy: -428.553
where: short stacking energy: -176.491
Base-Backbone interact. energy: -0.936
local terms energy: -202.804137
where:
bonds (distance) C4'-P energy: -58.443
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1282.106053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.106053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.106053 (E_RNA)
where:
Base-Base interactions energy: -770.247
where: short stacking energy: -312.139
Base-Backbone interact. energy: 0.332
local terms energy: -350.191687
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -78.790
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: -68.922
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1274.250112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.250112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.850112 (E_RNA)
where:
Base-Base interactions energy: -762.172
where: short stacking energy: -329.221
Base-Backbone interact. energy: -3.310
local terms energy: -350.368560
where:
bonds (distance) C4'-P energy: -73.511
bonds (distance) P-C4' energy: -70.378
flat angles C4'-P-C4' energy: -75.273
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -84.948
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1234.474800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.474800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.274800 (E_RNA)
where:
Base-Base interactions energy: -728.959
where: short stacking energy: -280.665
Base-Backbone interact. energy: -0.965
local terms energy: -317.350819
where:
bonds (distance) C4'-P energy: -65.056
bonds (distance) P-C4' energy: -60.223
flat angles C4'-P-C4' energy: -77.171
flat angles P-C4'-P energy: -49.042
tors. eta vs tors. theta energy: -65.859
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1126.849121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.849121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.449121 (E_RNA)
where:
Base-Base interactions energy: -702.984
where: short stacking energy: -285.130
Base-Backbone interact. energy: -2.482
local terms energy: -316.982745
where:
bonds (distance) C4'-P energy: -59.875
bonds (distance) P-C4' energy: -68.211
flat angles C4'-P-C4' energy: -73.524
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -74.385
Dist. restrs. and SS energy: -104.400 (S_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: 27
Temperature: 1.100000
Total energy: -1031.540776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.540776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.940776 (E_RNA)
where:
Base-Base interactions energy: -622.272
where: short stacking energy: -242.466
Base-Backbone interact. energy: -2.050
local terms energy: -313.618181
where:
bonds (distance) C4'-P energy: -67.356
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -58.636
flat angles P-C4'-P energy: -51.935
tors. eta vs tors. theta energy: -70.100
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -991.938034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.938034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.138034 (E_RNA)
where:
Base-Base interactions energy: -555.927
where: short stacking energy: -234.733
Base-Backbone interact. energy: 0.087
local terms energy: -290.297607
where:
bonds (distance) C4'-P energy: -54.030
bonds (distance) P-C4' energy: -66.267
flat angles C4'-P-C4' energy: -57.847
flat angles P-C4'-P energy: -50.089
tors. eta vs tors. theta energy: -62.064
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -968.131137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.131137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.131137 (E_RNA)
where:
Base-Base interactions energy: -567.383
where: short stacking energy: -211.935
Base-Backbone interact. energy: -1.223
local terms energy: -255.525008
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -64.940
flat angles C4'-P-C4' energy: -63.766
flat angles P-C4'-P energy: -34.736
tors. eta vs tors. theta energy: -34.214
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1036.978668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.978668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.978668 (E_RNA)
where:
Base-Base interactions energy: -584.632
where: short stacking energy: -253.054
Base-Backbone interact. energy: -1.784
local terms energy: -279.562978
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -61.259
flat angles C4'-P-C4' energy: -71.458
flat angles P-C4'-P energy: -40.143
tors. eta vs tors. theta energy: -57.591
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -774.813405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.813405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.413405 (E_RNA)
where:
Base-Base interactions energy: -402.746
where: short stacking energy: -190.658
Base-Backbone interact. energy: -0.934
local terms energy: -266.733661
where:
bonds (distance) C4'-P energy: -56.589
bonds (distance) P-C4' energy: -73.215
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: -28.201
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -787.451508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.451508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.651508 (E_RNA)
where:
Base-Base interactions energy: -431.291
where: short stacking energy: -160.833
Base-Backbone interact. energy: 0.192
local terms energy: -210.551781
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -78.211
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1287.819968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.819968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.819968 (E_RNA)
where:
Base-Base interactions energy: -780.456
where: short stacking energy: -315.333
Base-Backbone interact. energy: -3.787
local terms energy: -341.577483
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -81.166
flat angles P-C4'-P energy: -48.427
tors. eta vs tors. theta energy: -83.073
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1280.938821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.938821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.538821 (E_RNA)
where:
Base-Base interactions energy: -777.356
where: short stacking energy: -315.725
Base-Backbone interact. energy: -4.014
local terms energy: -341.169498
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -75.483
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -80.124
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1270.844122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.844122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.444122 (E_RNA)
where:
Base-Base interactions energy: -760.882
where: short stacking energy: -318.162
Base-Backbone interact. energy: -3.057
local terms energy: -321.505133
where:
bonds (distance) C4'-P energy: -62.616
bonds (distance) P-C4' energy: -66.653
flat angles C4'-P-C4' energy: -84.239
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -74.180
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1161.240295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.240295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.440295 (E_RNA)
where:
Base-Base interactions energy: -685.483
where: short stacking energy: -304.959
Base-Backbone interact. energy: 0.193
local terms energy: -366.150274
where:
bonds (distance) C4'-P energy: -66.694
bonds (distance) P-C4' energy: -75.991
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -55.548
tors. eta vs tors. theta energy: -86.801
Dist. restrs. and SS energy: -109.800 (S_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: 28
Temperature: 1.100000
Total energy: -1037.002562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.002562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.402562 (E_RNA)
where:
Base-Base interactions energy: -613.389
where: short stacking energy: -271.847
Base-Backbone interact. energy: -0.051
local terms energy: -329.962719
where:
bonds (distance) C4'-P energy: -69.433
bonds (distance) P-C4' energy: -69.716
flat angles C4'-P-C4' energy: -73.949
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -64.002
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1027.592316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.592316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.992316 (E_RNA)
where:
Base-Base interactions energy: -589.696
where: short stacking energy: -249.932
Base-Backbone interact. energy: -1.503
local terms energy: -288.793207
where:
bonds (distance) C4'-P energy: -63.521
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -69.702
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -52.149
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1122.487391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.487391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.087391 (E_RNA)
where:
Base-Base interactions energy: -641.364
where: short stacking energy: -269.555
Base-Backbone interact. energy: 0.067
local terms energy: -295.790294
where:
bonds (distance) C4'-P energy: -57.703
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -62.397
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -63.123
Dist. restrs. and SS energy: -185.400 (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: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -985.211328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.211328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.211328 (E_RNA)
where:
Base-Base interactions energy: -596.259
where: short stacking energy: -258.646
Base-Backbone interact. energy: 1.901
local terms energy: -264.853534
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -55.042
flat angles C4'-P-C4' energy: -63.151
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -57.391
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. 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: -760.521645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.521645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.921645 (E_RNA)
where:
Base-Base interactions energy: -413.352
where: short stacking energy: -184.007
Base-Backbone interact. energy: 2.021
local terms energy: -246.590967
where:
bonds (distance) C4'-P energy: -65.084
bonds (distance) P-C4' energy: -56.053
flat angles C4'-P-C4' energy: -51.897
flat angles P-C4'-P energy: -46.168
tors. eta vs tors. theta energy: -27.389
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -738.679526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.679526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.879526 (E_RNA)
where:
Base-Base interactions energy: -369.869
where: short stacking energy: -167.856
Base-Backbone interact. energy: -1.352
local terms energy: -239.658558
where:
bonds (distance) C4'-P energy: -62.609
bonds (distance) P-C4' energy: -64.778
flat angles C4'-P-C4' energy: -65.433
flat angles P-C4'-P energy: -30.921
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1315.209774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.209774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.609774 (E_RNA)
where:
Base-Base interactions energy: -797.983
where: short stacking energy: -323.066
Base-Backbone interact. energy: -3.539
local terms energy: -348.086927
where:
bonds (distance) C4'-P energy: -67.178
bonds (distance) P-C4' energy: -79.349
flat angles C4'-P-C4' energy: -75.586
flat angles P-C4'-P energy: -51.576
tors. eta vs tors. theta energy: -74.398
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1281.039601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.039601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.439601 (E_RNA)
where:
Base-Base interactions energy: -788.529
where: short stacking energy: -305.834
Base-Backbone interact. energy: 1.043
local terms energy: -336.953089
where:
bonds (distance) C4'-P energy: -70.876
bonds (distance) P-C4' energy: -72.532
flat angles C4'-P-C4' energy: -75.915
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -75.362
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1256.702747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.702747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.702747 (E_RNA)
where:
Base-Base interactions energy: -746.526
where: short stacking energy: -301.390
Base-Backbone interact. energy: 4.948
local terms energy: -335.124746
where:
bonds (distance) C4'-P energy: -64.502
bonds (distance) P-C4' energy: -68.201
flat angles C4'-P-C4' energy: -77.553
flat angles P-C4'-P energy: -57.662
tors. eta vs tors. theta energy: -67.208
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1140.494967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.494967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.494967 (E_RNA)
where:
Base-Base interactions energy: -702.515
where: short stacking energy: -297.029
Base-Backbone interact. energy: -1.264
local terms energy: -328.715262
where:
bonds (distance) C4'-P energy: -71.517
bonds (distance) P-C4' energy: -57.985
flat angles C4'-P-C4' energy: -76.782
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -73.034
Dist. restrs. and SS energy: -108.000 (S_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: 29
Temperature: 1.100000
Total energy: -993.067406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.067406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.467406 (E_RNA)
where:
Base-Base interactions energy: -604.733
where: short stacking energy: -264.671
Base-Backbone interact. energy: -0.921
local terms energy: -293.813383
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -59.805
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -63.220
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1125.187479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.187479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.787479 (E_RNA)
where:
Base-Base interactions energy: -631.462
where: short stacking energy: -248.459
Base-Backbone interact. energy: 0.804
local terms energy: -309.129209
where:
bonds (distance) C4'-P energy: -59.885
bonds (distance) P-C4' energy: -68.175
flat angles C4'-P-C4' energy: -68.648
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: -63.597
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1076.636281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.636281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.836281 (E_RNA)
where:
Base-Base interactions energy: -607.808
where: short stacking energy: -262.932
Base-Backbone interact. energy: 0.530
local terms energy: -305.558964
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -63.549
flat angles C4'-P-C4' energy: -64.184
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -69.417
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -974.501081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.501081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.101081 (E_RNA)
where:
Base-Base interactions energy: -560.537
where: short stacking energy: -229.154
Base-Backbone interact. energy: 0.284
local terms energy: -282.848266
where:
bonds (distance) C4'-P energy: -65.088
bonds (distance) P-C4' energy: -78.995
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -55.252
Dist. restrs. and SS energy: -131.400 (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: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -759.981677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.981677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.181677 (E_RNA)
where:
Base-Base interactions energy: -416.944
where: short stacking energy: -184.857
Base-Backbone interact. energy: 0.646
local terms energy: -242.884120
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -65.018
flat angles C4'-P-C4' energy: -64.639
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -27.910
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -727.670169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.670169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.670169 (E_RNA)
where:
Base-Base interactions energy: -393.731
where: short stacking energy: -169.683
Base-Backbone interact. energy: -2.080
local terms energy: -205.859654
where:
bonds (distance) C4'-P energy: -50.940
bonds (distance) P-C4' energy: -53.959
flat angles C4'-P-C4' energy: -51.924
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1296.526377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.526377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.726377 (E_RNA)
where:
Base-Base interactions energy: -780.197
where: short stacking energy: -322.232
Base-Backbone interact. energy: -1.846
local terms energy: -350.683275
where:
bonds (distance) C4'-P energy: -76.419
bonds (distance) P-C4' energy: -63.762
flat angles C4'-P-C4' energy: -84.626
flat angles P-C4'-P energy: -50.074
tors. eta vs tors. theta energy: -75.803
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1263.739832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.739832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.739832 (E_RNA)
where:
Base-Base interactions energy: -760.717
where: short stacking energy: -323.273
Base-Backbone interact. energy: -2.826
local terms energy: -347.196992
where:
bonds (distance) C4'-P energy: -68.478
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -78.318
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -91.152
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1266.003799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.003799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.603799 (E_RNA)
where:
Base-Base interactions energy: -753.964
where: short stacking energy: -311.886
Base-Backbone interact. energy: -2.076
local terms energy: -333.563964
where:
bonds (distance) C4'-P energy: -65.353
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -84.707
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -74.746
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1158.350992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.350992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.150992 (E_RNA)
where:
Base-Base interactions energy: -702.490
where: short stacking energy: -291.401
Base-Backbone interact. energy: -3.849
local terms energy: -345.811366
where:
bonds (distance) C4'-P energy: -71.664
bonds (distance) P-C4' energy: -70.749
flat angles C4'-P-C4' energy: -76.758
flat angles P-C4'-P energy: -43.578
tors. eta vs tors. theta energy: -83.063
Dist. restrs. and SS energy: -106.200 (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: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1190.666933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.466933 (E_RNA)
where:
Base-Base interactions energy: -696.024
where: short stacking energy: -292.063
Base-Backbone interact. energy: 0.741
local terms energy: -308.184112
where:
bonds (distance) C4'-P energy: -63.018
bonds (distance) P-C4' energy: -59.992
flat angles C4'-P-C4' energy: -71.732
flat angles P-C4'-P energy: -34.515
tors. eta vs tors. theta energy: -78.927
Dist. restrs. and SS energy: -187.200 (S_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: 30
Temperature: 1.150000
Total energy: -1013.075713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.075713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.075713 (E_RNA)
where:
Base-Base interactions energy: -605.515
where: short stacking energy: -267.159
Base-Backbone interact. energy: -1.049
local terms energy: -307.511779
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -71.071
flat angles C4'-P-C4' energy: -69.444
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -65.628
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1067.993071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.993071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.193071 (E_RNA)
where:
Base-Base interactions energy: -613.653
where: short stacking energy: -253.403
Base-Backbone interact. energy: -0.946
local terms energy: -289.594158
where:
bonds (distance) C4'-P energy: -58.796
bonds (distance) P-C4' energy: -57.848
flat angles C4'-P-C4' energy: -73.769
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -62.160
Dist. restrs. and SS energy: -163.800 (S_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: 30
Temperature: 1.250000
Total energy: -959.325693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.325693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.125693 (E_RNA)
where:
Base-Base interactions energy: -534.252
where: short stacking energy: -219.971
Base-Backbone interact. energy: 1.251
local terms energy: -293.124457
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -68.170
flat angles C4'-P-C4' energy: -73.682
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -53.976
Dist. restrs. and SS energy: -133.200 (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: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -816.849443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.849443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.849443 (E_RNA)
where:
Base-Base interactions energy: -470.915
where: short stacking energy: -210.000
Base-Backbone interact. energy: -2.024
local terms energy: -235.910521
where:
bonds (distance) C4'-P energy: -55.643
bonds (distance) P-C4' energy: -56.132
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -37.745
tors. eta vs tors. theta energy: -42.584
Dist. restrs. and SS energy: -108.000 (S_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: 30
Temperature: 1.350000
Total energy: -754.453917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.453917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.053917 (E_RNA)
where:
Base-Base interactions energy: -407.946
where: short stacking energy: -180.185
Base-Backbone interact. energy: 0.232
local terms energy: -215.339955
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -46.765
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -29.803
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1333.174497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.174497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.374497 (E_RNA)
where:
Base-Base interactions energy: -823.285
where: short stacking energy: -322.169
Base-Backbone interact. energy: -2.256
local terms energy: -343.833021
where:
bonds (distance) C4'-P energy: -72.965
bonds (distance) P-C4' energy: -72.749
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -56.261
tors. eta vs tors. theta energy: -74.339
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1322.551683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.551683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.751683 (E_RNA)
where:
Base-Base interactions energy: -787.542
where: short stacking energy: -318.805
Base-Backbone interact. energy: -1.418
local terms energy: -342.791703
where:
bonds (distance) C4'-P energy: -65.463
bonds (distance) P-C4' energy: -69.910
flat angles C4'-P-C4' energy: -78.018
flat angles P-C4'-P energy: -47.595
tors. eta vs tors. theta energy: -81.806
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1233.076853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.076853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.076853 (E_RNA)
where:
Base-Base interactions energy: -714.218
where: short stacking energy: -279.925
Base-Backbone interact. energy: -1.744
local terms energy: -355.114520
where:
bonds (distance) C4'-P energy: -76.817
bonds (distance) P-C4' energy: -67.398
flat angles C4'-P-C4' energy: -84.388
flat angles P-C4'-P energy: -47.493
tors. eta vs tors. theta energy: -79.018
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. 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: -1259.091672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.091672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.491672 (E_RNA)
where:
Base-Base interactions energy: -725.540
where: short stacking energy: -323.000
Base-Backbone interact. energy: -3.020
local terms energy: -346.931413
where:
bonds (distance) C4'-P energy: -66.157
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -73.923
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -83.650
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1128.543200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.543200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.343200 (E_RNA)
where:
Base-Base interactions energy: -712.108
where: short stacking energy: -287.440
Base-Backbone interact. energy: 2.761
local terms energy: -312.995572
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -58.482
flat angles C4'-P-C4' energy: -75.579
flat angles P-C4'-P energy: -34.237
tors. eta vs tors. theta energy: -75.582
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1103.660957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.660957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.060957 (E_RNA)
where:
Base-Base interactions energy: -608.391
where: short stacking energy: -266.348
Base-Backbone interact. energy: -0.160
local terms energy: -338.510289
where:
bonds (distance) C4'-P energy: -71.312
bonds (distance) P-C4' energy: -68.873
flat angles C4'-P-C4' energy: -73.592
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -72.812
Dist. restrs. and SS energy: -156.600 (S_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: 31
Temperature: 1.200000
Total energy: -1001.402099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.402099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.802099 (E_RNA)
where:
Base-Base interactions energy: -602.997
where: short stacking energy: -247.566
Base-Backbone interact. energy: 3.320
local terms energy: -299.124798
where:
bonds (distance) C4'-P energy: -68.620
bonds (distance) P-C4' energy: -68.487
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -45.371
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: -102.600 (S_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: 31
Temperature: 1.250000
Total energy: -927.381841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.381841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.381841 (E_RNA)
where:
Base-Base interactions energy: -519.136
where: short stacking energy: -204.490
Base-Backbone interact. energy: 1.368
local terms energy: -274.614111
where:
bonds (distance) C4'-P energy: -64.102
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -46.550
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -794.589538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.589538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.589538 (E_RNA)
where:
Base-Base interactions energy: -453.520
where: short stacking energy: -212.144
Base-Backbone interact. energy: 1.118
local terms energy: -234.187815
where:
bonds (distance) C4'-P energy: -51.805
bonds (distance) P-C4' energy: -58.222
flat angles C4'-P-C4' energy: -47.989
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: -108.000 (S_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: 31
Temperature: 1.350000
Total energy: -800.884232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.884232 (E_RNA)
where:
Base-Base interactions energy: -428.254
where: short stacking energy: -187.605
Base-Backbone interact. energy: -1.339
local terms energy: -227.291095
where:
bonds (distance) C4'-P energy: -59.269
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1309.186616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.186616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.386616 (E_RNA)
where:
Base-Base interactions energy: -793.322
where: short stacking energy: -323.966
Base-Backbone interact. energy: -3.795
local terms energy: -348.268974
where:
bonds (distance) C4'-P energy: -64.775
bonds (distance) P-C4' energy: -75.081
flat angles C4'-P-C4' energy: -75.398
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: -77.429
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1342.477176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.477176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.277176 (E_RNA)
where:
Base-Base interactions energy: -817.163
where: short stacking energy: -320.944
Base-Backbone interact. energy: -0.340
local terms energy: -337.773311
where:
bonds (distance) C4'-P energy: -70.473
bonds (distance) P-C4' energy: -71.195
flat angles C4'-P-C4' energy: -78.619
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -75.852
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1292.307084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.307084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.907084 (E_RNA)
where:
Base-Base interactions energy: -745.366
where: short stacking energy: -339.405
Base-Backbone interact. energy: 0.873
local terms energy: -362.413938
where:
bonds (distance) C4'-P energy: -73.036
bonds (distance) P-C4' energy: -77.436
flat angles C4'-P-C4' energy: -83.404
flat angles P-C4'-P energy: -46.067
tors. eta vs tors. theta energy: -82.471
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1222.426444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.426444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.226444 (E_RNA)
where:
Base-Base interactions energy: -708.074
where: short stacking energy: -282.316
Base-Backbone interact. energy: -0.655
local terms energy: -344.497114
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -69.782
flat angles C4'-P-C4' energy: -85.279
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -77.478
Dist. restrs. and SS energy: -169.200 (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: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1085.234033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.234033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.034033 (E_RNA)
where:
Base-Base interactions energy: -668.714
where: short stacking energy: -273.693
Base-Backbone interact. energy: -1.272
local terms energy: -309.048009
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -72.681
flat angles C4'-P-C4' energy: -75.578
flat angles P-C4'-P energy: -43.320
tors. eta vs tors. theta energy: -67.187
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1103.124413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.124413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.324413 (E_RNA)
where:
Base-Base interactions energy: -625.389
where: short stacking energy: -260.400
Base-Backbone interact. energy: 1.555
local terms energy: -315.489945
where:
bonds (distance) C4'-P energy: -61.015
bonds (distance) P-C4' energy: -74.496
flat angles C4'-P-C4' energy: -72.391
flat angles P-C4'-P energy: -50.747
tors. eta vs tors. theta energy: -56.840
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -987.070667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.070667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.670667 (E_RNA)
where:
Base-Base interactions energy: -595.377
where: short stacking energy: -248.055
Base-Backbone interact. energy: -0.159
local terms energy: -296.134664
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -62.425
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -57.555
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: -95.400 (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: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -926.027343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.027343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.027343 (E_RNA)
where:
Base-Base interactions energy: -501.895
where: short stacking energy: -201.865
Base-Backbone interact. energy: -2.074
local terms energy: -287.058320
where:
bonds (distance) C4'-P energy: -63.400
bonds (distance) P-C4' energy: -70.890
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -48.506
Dist. restrs. and SS energy: -135.000 (S_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: 32
Temperature: 1.300000
Total energy: -849.417722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.417722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.417722 (E_RNA)
where:
Base-Base interactions energy: -459.861
where: short stacking energy: -198.083
Base-Backbone interact. energy: -1.420
local terms energy: -244.136917
where:
bonds (distance) C4'-P energy: -61.952
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -39.904
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -767.430065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.430065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.630065 (E_RNA)
where:
Base-Base interactions energy: -412.850
where: short stacking energy: -199.179
Base-Backbone interact. energy: -1.901
local terms energy: -251.879123
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -65.260
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -45.097
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1314.712905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.712905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.112905 (E_RNA)
where:
Base-Base interactions energy: -783.762
where: short stacking energy: -321.880
Base-Backbone interact. energy: -4.707
local terms energy: -360.643373
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -76.669
flat angles C4'-P-C4' energy: -77.773
flat angles P-C4'-P energy: -52.440
tors. eta vs tors. theta energy: -81.583
Dist. restrs. and SS energy: -165.600 (S_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: 33
Temperature: 0.950000
Total energy: -1318.586290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.586290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.186290 (E_RNA)
where:
Base-Base interactions energy: -804.860
where: short stacking energy: -325.447
Base-Backbone interact. energy: 7.179
local terms energy: -335.505837
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -72.085
flat angles C4'-P-C4' energy: -71.995
flat angles P-C4'-P energy: -49.240
tors. eta vs tors. theta energy: -80.057
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1306.153209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.153209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.753209 (E_RNA)
where:
Base-Base interactions energy: -773.556
where: short stacking energy: -325.457
Base-Backbone interact. energy: 0.665
local terms energy: -347.862056
where:
bonds (distance) C4'-P energy: -68.885
bonds (distance) P-C4' energy: -71.856
flat angles C4'-P-C4' energy: -79.600
flat angles P-C4'-P energy: -40.001
tors. eta vs tors. theta energy: -87.519
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1219.784312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.784312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.384312 (E_RNA)
where:
Base-Base interactions energy: -721.972
where: short stacking energy: -284.625
Base-Backbone interact. energy: -3.579
local terms energy: -326.833430
where:
bonds (distance) C4'-P energy: -69.706
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -52.785
tors. eta vs tors. theta energy: -76.603
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1080.900494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.900494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.100494 (E_RNA)
where:
Base-Base interactions energy: -653.708
where: short stacking energy: -278.575
Base-Backbone interact. energy: -3.083
local terms energy: -314.309649
where:
bonds (distance) C4'-P energy: -69.520
bonds (distance) P-C4' energy: -63.135
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -55.188
tors. eta vs tors. theta energy: -69.163
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1116.531521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.531521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.331521 (E_RNA)
where:
Base-Base interactions energy: -649.984
where: short stacking energy: -283.908
Base-Backbone interact. energy: -4.381
local terms energy: -301.966122
where:
bonds (distance) C4'-P energy: -70.587
bonds (distance) P-C4' energy: -47.391
flat angles C4'-P-C4' energy: -80.703
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -71.182
Dist. restrs. and SS energy: -160.200 (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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -974.353761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.353761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.753761 (E_RNA)
where:
Base-Base interactions energy: -575.739
where: short stacking energy: -220.552
Base-Backbone interact. energy: -2.189
local terms energy: -293.826114
where:
bonds (distance) C4'-P energy: -69.551
bonds (distance) P-C4' energy: -64.573
flat angles C4'-P-C4' energy: -69.307
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -46.994
Dist. restrs. and SS energy: -102.600 (S_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: 33
Temperature: 1.250000
Total energy: -975.038389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.038389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.238389 (E_RNA)
where:
Base-Base interactions energy: -544.054
where: short stacking energy: -218.703
Base-Backbone interact. energy: -0.722
local terms energy: -284.462277
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -71.890
flat angles C4'-P-C4' energy: -72.929
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -49.419
Dist. restrs. and SS energy: -145.800 (S_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: 33
Temperature: 1.300000
Total energy: -916.548878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.548878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.548878 (E_RNA)
where:
Base-Base interactions energy: -478.618
where: short stacking energy: -187.962
Base-Backbone interact. energy: -1.580
local terms energy: -283.350777
where:
bonds (distance) C4'-P energy: -55.769
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -71.041
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -44.569
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -728.158298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.158298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.958298 (E_RNA)
where:
Base-Base interactions energy: -410.006
where: short stacking energy: -180.929
Base-Backbone interact. energy: -0.797
local terms energy: -211.155563
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -56.511
flat angles P-C4'-P energy: -34.302
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: -106.200 (S_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: 34
Temperature: 0.900000
Total energy: -1356.035615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.035615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.035615 (E_RNA)
where:
Base-Base interactions energy: -805.788
where: short stacking energy: -334.298
Base-Backbone interact. energy: -5.320
local terms energy: -355.927415
where:
bonds (distance) C4'-P energy: -75.723
bonds (distance) P-C4' energy: -72.011
flat angles C4'-P-C4' energy: -74.715
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -86.581
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1292.029113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.029113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.229113 (E_RNA)
where:
Base-Base interactions energy: -798.184
where: short stacking energy: -343.899
Base-Backbone interact. energy: -1.659
local terms energy: -328.385966
where:
bonds (distance) C4'-P energy: -68.422
bonds (distance) P-C4' energy: -63.057
flat angles C4'-P-C4' energy: -71.916
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -84.114
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1314.692801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.692801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.492801 (E_RNA)
where:
Base-Base interactions energy: -754.192
where: short stacking energy: -325.632
Base-Backbone interact. energy: -3.298
local terms energy: -370.002358
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -80.824
flat angles P-C4'-P energy: -56.872
tors. eta vs tors. theta energy: -95.077
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1213.166225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.166225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.566225 (E_RNA)
where:
Base-Base interactions energy: -724.285
where: short stacking energy: -288.063
Base-Backbone interact. energy: -3.457
local terms energy: -319.823734
where:
bonds (distance) C4'-P energy: -73.563
bonds (distance) P-C4' energy: -69.934
flat angles C4'-P-C4' energy: -56.840
flat angles P-C4'-P energy: -45.936
tors. eta vs tors. theta energy: -73.551
Dist. restrs. and SS energy: -165.600 (S_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: 34
Temperature: 1.100000
Total energy: -1191.262445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.262445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.262445 (E_RNA)
where:
Base-Base interactions energy: -703.691
where: short stacking energy: -282.741
Base-Backbone interact. energy: -1.999
local terms energy: -323.572588
where:
bonds (distance) C4'-P energy: -62.472
bonds (distance) P-C4' energy: -71.678
flat angles C4'-P-C4' energy: -68.712
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: -70.618
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1060.882447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.882447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.282447 (E_RNA)
where:
Base-Base interactions energy: -630.701
where: short stacking energy: -268.030
Base-Backbone interact. energy: -0.043
local terms energy: -309.538389
where:
bonds (distance) C4'-P energy: -80.628
bonds (distance) P-C4' energy: -59.630
flat angles C4'-P-C4' energy: -56.355
flat angles P-C4'-P energy: -46.994
tors. eta vs tors. theta energy: -65.931
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1008.734493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.734493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.334493 (E_RNA)
where:
Base-Base interactions energy: -605.704
where: short stacking energy: -238.994
Base-Backbone interact. energy: -1.890
local terms energy: -251.740874
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -45.343
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -55.830
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -905.699464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.699464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.899464 (E_RNA)
where:
Base-Base interactions energy: -515.065
where: short stacking energy: -222.394
Base-Backbone interact. energy: -0.491
local terms energy: -280.343505
where:
bonds (distance) C4'-P energy: -68.814
bonds (distance) P-C4' energy: -70.504
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -50.821
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -954.376600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.376600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.376600 (E_RNA)
where:
Base-Base interactions energy: -511.531
where: short stacking energy: -218.390
Base-Backbone interact. energy: -1.261
local terms energy: -279.584588
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -72.502
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -46.283
tors. eta vs tors. theta energy: -52.848
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -758.761724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.761724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.361724 (E_RNA)
where:
Base-Base interactions energy: -416.852
where: short stacking energy: -173.316
Base-Backbone interact. energy: -0.141
local terms energy: -237.368307
where:
bonds (distance) C4'-P energy: -60.947
bonds (distance) P-C4' energy: -49.895
flat angles C4'-P-C4' energy: -59.592
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -29.647
Dist. restrs. and SS energy: -104.400 (S_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: 35
Temperature: 0.900000
Total energy: -1363.187331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.187331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.187331 (E_RNA)
where:
Base-Base interactions energy: -804.789
where: short stacking energy: -336.675
Base-Backbone interact. energy: -4.385
local terms energy: -365.013489
where:
bonds (distance) C4'-P energy: -76.999
bonds (distance) P-C4' energy: -75.809
flat angles C4'-P-C4' energy: -78.649
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -83.065
Dist. restrs. and SS energy: -189.000 (S_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: 35
Temperature: 0.950000
Total energy: -1321.464510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.464510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.464510 (E_RNA)
where:
Base-Base interactions energy: -778.468
where: short stacking energy: -318.823
Base-Backbone interact. energy: -1.086
local terms energy: -352.910533
where:
bonds (distance) C4'-P energy: -68.919
bonds (distance) P-C4' energy: -70.225
flat angles C4'-P-C4' energy: -78.060
flat angles P-C4'-P energy: -47.183
tors. eta vs tors. theta energy: -88.524
Dist. restrs. and SS energy: -189.000 (S_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: 35
Temperature: 1.000000
Total energy: -1253.383017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.383017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.583017 (E_RNA)
where:
Base-Base interactions energy: -748.895
where: short stacking energy: -305.794
Base-Backbone interact. energy: -4.978
local terms energy: -335.710000
where:
bonds (distance) C4'-P energy: -69.653
bonds (distance) P-C4' energy: -64.576
flat angles C4'-P-C4' energy: -71.927
flat angles P-C4'-P energy: -48.640
tors. eta vs tors. theta energy: -80.914
Dist. restrs. and SS energy: -163.800 (S_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: 35
Temperature: 1.050000
Total energy: -1213.684842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.684842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.684842 (E_RNA)
where:
Base-Base interactions energy: -739.699
where: short stacking energy: -301.952
Base-Backbone interact. energy: -0.032
local terms energy: -311.953280
where:
bonds (distance) C4'-P energy: -62.588
bonds (distance) P-C4' energy: -60.409
flat angles C4'-P-C4' energy: -73.426
flat angles P-C4'-P energy: -49.801
tors. eta vs tors. theta energy: -65.729
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1182.445137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.445137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.445137 (E_RNA)
where:
Base-Base interactions energy: -697.549
where: short stacking energy: -293.440
Base-Backbone interact. energy: -2.489
local terms energy: -320.407503
where:
bonds (distance) C4'-P energy: -61.529
bonds (distance) P-C4' energy: -65.724
flat angles C4'-P-C4' energy: -66.012
flat angles P-C4'-P energy: -52.985
tors. eta vs tors. theta energy: -74.158
Dist. restrs. and SS energy: -162.000 (S_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: 35
Temperature: 1.150000
Total energy: -1069.006510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.006510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.206510 (E_RNA)
where:
Base-Base interactions energy: -612.077
where: short stacking energy: -249.945
Base-Backbone interact. energy: -4.030
local terms energy: -298.099994
where:
bonds (distance) C4'-P energy: -68.662
bonds (distance) P-C4' energy: -66.414
flat angles C4'-P-C4' energy: -58.362
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -57.805
Dist. restrs. and SS energy: -154.800 (S_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: 35
Temperature: 1.200000
Total energy: -1025.140319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.140319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.940319 (E_RNA)
where:
Base-Base interactions energy: -607.891
where: short stacking energy: -235.248
Base-Backbone interact. energy: -2.773
local terms energy: -299.276039
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -51.856
flat angles C4'-P-C4' energy: -72.685
flat angles P-C4'-P energy: -50.261
tors. eta vs tors. theta energy: -62.643
Dist. restrs. and SS energy: -115.200 (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: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1005.682745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.682745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.682745 (E_RNA)
where:
Base-Base interactions energy: -578.271
where: short stacking energy: -237.853
Base-Backbone interact. energy: -0.965
local terms energy: -264.447194
where:
bonds (distance) C4'-P energy: -61.529
bonds (distance) P-C4' energy: -50.816
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -55.321
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -863.402704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.402704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.802704 (E_RNA)
where:
Base-Base interactions energy: -519.892
where: short stacking energy: -199.739
Base-Backbone interact. energy: -1.414
local terms energy: -239.496878
where:
bonds (distance) C4'-P energy: -53.663
bonds (distance) P-C4' energy: -59.290
flat angles C4'-P-C4' energy: -53.470
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: -39.373
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -736.743381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.743381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.343381 (E_RNA)
where:
Base-Base interactions energy: -419.403
where: short stacking energy: -171.912
Base-Backbone interact. energy: -1.751
local terms energy: -211.189488
where:
bonds (distance) C4'-P energy: -45.085
bonds (distance) P-C4' energy: -51.550
flat angles C4'-P-C4' energy: -71.283
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -29.841
Dist. restrs. and SS energy: -104.400 (S_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: 36
Temperature: 0.900000
Total energy: -1368.508569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.508569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.508569 (E_RNA)
where:
Base-Base interactions energy: -819.062
where: short stacking energy: -314.258
Base-Backbone interact. energy: 3.928
local terms energy: -364.374180
where:
bonds (distance) C4'-P energy: -78.922
bonds (distance) P-C4' energy: -66.752
flat angles C4'-P-C4' energy: -80.811
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -81.326
Dist. restrs. and SS energy: -189.000 (S_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: 36
Temperature: 0.950000
Total energy: -1350.691870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.691870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.891870 (E_RNA)
where:
Base-Base interactions energy: -795.480
where: short stacking energy: -330.788
Base-Backbone interact. energy: -0.254
local terms energy: -364.158384
where:
bonds (distance) C4'-P energy: -73.858
bonds (distance) P-C4' energy: -72.856
flat angles C4'-P-C4' energy: -80.520
flat angles P-C4'-P energy: -53.414
tors. eta vs tors. theta energy: -83.510
Dist. restrs. and SS energy: -190.800 (S_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: -1242.432321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.432321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.632321 (E_RNA)
where:
Base-Base interactions energy: -744.722
where: short stacking energy: -300.149
Base-Backbone interact. energy: -2.363
local terms energy: -331.547013
where:
bonds (distance) C4'-P energy: -57.080
bonds (distance) P-C4' energy: -78.011
flat angles C4'-P-C4' energy: -76.099
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -66.373
Dist. restrs. and SS energy: -163.800 (S_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: 36
Temperature: 1.050000
Total energy: -1231.137750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.137750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.737750 (E_RNA)
where:
Base-Base interactions energy: -749.774
where: short stacking energy: -304.160
Base-Backbone interact. energy: -2.087
local terms energy: -320.877405
where:
bonds (distance) C4'-P energy: -60.199
bonds (distance) P-C4' energy: -70.146
flat angles C4'-P-C4' energy: -65.411
flat angles P-C4'-P energy: -54.413
tors. eta vs tors. theta energy: -70.709
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1208.021945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.021945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.021945 (E_RNA)
where:
Base-Base interactions energy: -722.820
where: short stacking energy: -296.710
Base-Backbone interact. energy: 1.501
local terms energy: -324.703085
where:
bonds (distance) C4'-P energy: -66.241
bonds (distance) P-C4' energy: -59.418
flat angles C4'-P-C4' energy: -68.022
flat angles P-C4'-P energy: -55.059
tors. eta vs tors. theta energy: -75.964
Dist. restrs. and SS energy: -162.000 (S_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: 36
Temperature: 1.150000
Total energy: -1052.393159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.393159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.593159 (E_RNA)
where:
Base-Base interactions energy: -651.063
where: short stacking energy: -236.735
Base-Backbone interact. energy: 3.560
local terms energy: -259.090349
where:
bonds (distance) C4'-P energy: -54.649
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -64.520
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -65.481
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1021.916297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.916297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.916297 (E_RNA)
where:
Base-Base interactions energy: -569.314
where: short stacking energy: -250.121
Base-Backbone interact. energy: -1.483
local terms energy: -289.119097
where:
bonds (distance) C4'-P energy: -67.179
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -56.340
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: -162.000 (S_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: 36
Temperature: 1.250000
Total energy: -998.894156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.894156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.094156 (E_RNA)
where:
Base-Base interactions energy: -585.341
where: short stacking energy: -248.289
Base-Backbone interact. energy: -1.601
local terms energy: -284.152211
where:
bonds (distance) C4'-P energy: -65.818
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -66.967
flat angles P-C4'-P energy: -41.080
tors. eta vs tors. theta energy: -57.164
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -861.467257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.467257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.067257 (E_RNA)
where:
Base-Base interactions energy: -510.177
where: short stacking energy: -218.498
Base-Backbone interact. energy: 4.164
local terms energy: -260.053986
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -61.797
flat angles C4'-P-C4' energy: -58.223
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -748.483559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.483559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.283559 (E_RNA)
where:
Base-Base interactions energy: -401.485
where: short stacking energy: -172.547
Base-Backbone interact. energy: -0.602
local terms energy: -240.196319
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -66.118
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -28.818
Dist. restrs. and SS energy: -106.200 (S_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: 37
Temperature: 0.900000
Total energy: -1377.752066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.752066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.752066 (E_RNA)
where:
Base-Base interactions energy: -834.777
where: short stacking energy: -337.353
Base-Backbone interact. energy: -1.423
local terms energy: -361.552489
where:
bonds (distance) C4'-P energy: -74.094
bonds (distance) P-C4' energy: -63.253
flat angles C4'-P-C4' energy: -83.364
flat angles P-C4'-P energy: -51.093
tors. eta vs tors. theta energy: -89.749
Dist. restrs. and SS energy: -180.000 (S_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: 37
Temperature: 0.950000
Total energy: -1343.144778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.144778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.144778 (E_RNA)
where:
Base-Base interactions energy: -791.450
where: short stacking energy: -344.818
Base-Backbone interact. energy: -1.203
local terms energy: -361.491157
where:
bonds (distance) C4'-P energy: -71.911
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -76.965
flat angles P-C4'-P energy: -49.269
tors. eta vs tors. theta energy: -90.332
Dist. restrs. and SS energy: -189.000 (S_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: 37
Temperature: 1.000000
Total energy: -1258.063933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.063933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.263933 (E_RNA)
where:
Base-Base interactions energy: -749.692
where: short stacking energy: -315.369
Base-Backbone interact. energy: -1.725
local terms energy: -342.847331
where:
bonds (distance) C4'-P energy: -65.226
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -78.596
flat angles P-C4'-P energy: -49.869
tors. eta vs tors. theta energy: -82.923
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1243.024266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.024266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.424266 (E_RNA)
where:
Base-Base interactions energy: -739.948
where: short stacking energy: -281.219
Base-Backbone interact. energy: -0.222
local terms energy: -337.254748
where:
bonds (distance) C4'-P energy: -66.507
bonds (distance) P-C4' energy: -67.717
flat angles C4'-P-C4' energy: -78.411
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -79.158
Dist. restrs. and SS energy: -165.600 (S_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: 37
Temperature: 1.100000
Total energy: -1170.378854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.378854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.178854 (E_RNA)
where:
Base-Base interactions energy: -672.110
where: short stacking energy: -269.921
Base-Backbone interact. energy: -1.186
local terms energy: -345.883035
where:
bonds (distance) C4'-P energy: -74.152
bonds (distance) P-C4' energy: -68.433
flat angles C4'-P-C4' energy: -84.633
flat angles P-C4'-P energy: -50.487
tors. eta vs tors. theta energy: -68.177
Dist. restrs. and SS energy: -151.200 (S_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: 37
Temperature: 1.150000
Total energy: -1078.070937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.070937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.470937 (E_RNA)
where:
Base-Base interactions energy: -643.277
where: short stacking energy: -248.142
Base-Backbone interact. energy: -2.610
local terms energy: -284.583333
where:
bonds (distance) C4'-P energy: -65.536
bonds (distance) P-C4' energy: -63.097
flat angles C4'-P-C4' energy: -66.954
flat angles P-C4'-P energy: -36.978
tors. eta vs tors. theta energy: -52.019
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1030.149766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.149766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.149766 (E_RNA)
where:
Base-Base interactions energy: -568.292
where: short stacking energy: -244.337
Base-Backbone interact. energy: -0.999
local terms energy: -298.859327
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -62.150
flat angles C4'-P-C4' energy: -56.914
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -61.372
Dist. restrs. and SS energy: -162.000 (S_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: 37
Temperature: 1.250000
Total energy: -1003.297534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.297534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.897534 (E_RNA)
where:
Base-Base interactions energy: -576.352
where: short stacking energy: -245.901
Base-Backbone interact. energy: -1.546
local terms energy: -302.999449
where:
bonds (distance) C4'-P energy: -56.993
bonds (distance) P-C4' energy: -63.343
flat angles C4'-P-C4' energy: -65.665
flat angles P-C4'-P energy: -47.574
tors. eta vs tors. theta energy: -69.425
Dist. restrs. and SS energy: -122.400 (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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -879.331031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.331031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.931031 (E_RNA)
where:
Base-Base interactions energy: -517.218
where: short stacking energy: -219.264
Base-Backbone interact. energy: -0.399
local terms energy: -248.314032
where:
bonds (distance) C4'-P energy: -51.566
bonds (distance) P-C4' energy: -63.007
flat angles C4'-P-C4' energy: -63.289
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -43.494
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -701.150353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.150353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.750353 (E_RNA)
where:
Base-Base interactions energy: -374.804
where: short stacking energy: -163.828
Base-Backbone interact. energy: -0.518
local terms energy: -221.428488
where:
bonds (distance) C4'-P energy: -54.701
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -61.606
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -32.292
Dist. restrs. and SS energy: -104.400 (S_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: 38
Temperature: 0.900000
Total energy: -1395.492699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.492699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.892699 (E_RNA)
where:
Base-Base interactions energy: -830.846
where: short stacking energy: -339.386
Base-Backbone interact. energy: -0.867
local terms energy: -380.179379
where:
bonds (distance) C4'-P energy: -70.380
bonds (distance) P-C4' energy: -76.019
flat angles C4'-P-C4' energy: -86.185
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -91.001
Dist. restrs. and SS energy: -183.600 (S_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: 38
Temperature: 0.950000
Total energy: -1386.261136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.261136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.261136 (E_RNA)
where:
Base-Base interactions energy: -810.967
where: short stacking energy: -339.810
Base-Backbone interact. energy: -0.216
local terms energy: -377.078066
where:
bonds (distance) C4'-P energy: -70.582
bonds (distance) P-C4' energy: -76.072
flat angles C4'-P-C4' energy: -82.404
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: -94.619
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1281.304835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.304835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.104835 (E_RNA)
where:
Base-Base interactions energy: -760.828
where: short stacking energy: -297.006
Base-Backbone interact. energy: -0.417
local terms energy: -350.859998
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -79.399
flat angles P-C4'-P energy: -64.098
tors. eta vs tors. theta energy: -82.114
Dist. restrs. and SS energy: -169.200 (S_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: 38
Temperature: 1.050000
Total energy: -1243.029614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.029614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.229614 (E_RNA)
where:
Base-Base interactions energy: -733.039
where: short stacking energy: -303.859
Base-Backbone interact. energy: -2.559
local terms energy: -343.631475
where:
bonds (distance) C4'-P energy: -63.833
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -77.633
flat angles P-C4'-P energy: -54.429
tors. eta vs tors. theta energy: -77.332
Dist. restrs. and SS energy: -163.800 (S_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: -1158.788869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.588869 (E_RNA)
where:
Base-Base interactions energy: -692.820
where: short stacking energy: -289.170
Base-Backbone interact. energy: -0.987
local terms energy: -313.782163
where:
bonds (distance) C4'-P energy: -59.825
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -76.667
Dist. restrs. and SS energy: -151.200 (S_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: 38
Temperature: 1.150000
Total energy: -1090.571533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.571533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.171533 (E_RNA)
where:
Base-Base interactions energy: -635.758
where: short stacking energy: -272.405
Base-Backbone interact. energy: -2.774
local terms energy: -302.639230
where:
bonds (distance) C4'-P energy: -58.172
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -75.607
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -74.135
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1011.735741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.735741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.935741 (E_RNA)
where:
Base-Base interactions energy: -559.757
where: short stacking energy: -242.659
Base-Backbone interact. energy: -1.939
local terms energy: -286.240068
where:
bonds (distance) C4'-P energy: -57.328
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -75.423
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -53.175
Dist. restrs. and SS energy: -163.800 (S_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: 38
Temperature: 1.250000
Total energy: -1017.667885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.667885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.867885 (E_RNA)
where:
Base-Base interactions energy: -623.517
where: short stacking energy: -260.058
Base-Backbone interact. energy: 0.688
local terms energy: -267.039179
where:
bonds (distance) C4'-P energy: -55.142
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -51.890
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -924.846704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.846704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.646704 (E_RNA)
where:
Base-Base interactions energy: -525.095
where: short stacking energy: -218.228
Base-Backbone interact. energy: -1.450
local terms energy: -265.102097
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -68.198
flat angles C4'-P-C4' energy: -65.318
flat angles P-C4'-P energy: -31.100
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: -133.200 (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: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -731.788829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.788829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.188829 (E_RNA)
where:
Base-Base interactions energy: -389.795
where: short stacking energy: -183.241
Base-Backbone interact. energy: 5.397
local terms energy: -244.790432
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -48.566
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -43.693
Dist. restrs. and SS energy: -102.600 (S_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: 39
Temperature: 0.900000
Total energy: -1383.572630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.572630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.972630 (E_RNA)
where:
Base-Base interactions energy: -830.232
where: short stacking energy: -340.339
Base-Backbone interact. energy: -3.378
local terms energy: -366.362426
where:
bonds (distance) C4'-P energy: -73.197
bonds (distance) P-C4' energy: -75.379
flat angles C4'-P-C4' energy: -83.308
flat angles P-C4'-P energy: -55.049
tors. eta vs tors. theta energy: -79.429
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1346.586824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.586824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.786824 (E_RNA)
where:
Base-Base interactions energy: -799.991
where: short stacking energy: -337.648
Base-Backbone interact. energy: -2.871
local terms energy: -343.924908
where:
bonds (distance) C4'-P energy: -69.649
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -76.725
flat angles P-C4'-P energy: -48.970
tors. eta vs tors. theta energy: -85.651
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1303.384857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.384857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.984857 (E_RNA)
where:
Base-Base interactions energy: -782.804
where: short stacking energy: -320.982
Base-Backbone interact. energy: 0.215
local terms energy: -353.395713
where:
bonds (distance) C4'-P energy: -56.186
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -78.689
flat angles P-C4'-P energy: -60.507
tors. eta vs tors. theta energy: -88.450
Dist. restrs. and SS energy: -167.400 (S_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: 39
Temperature: 1.050000
Total energy: -1230.040105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.040105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.240105 (E_RNA)
where:
Base-Base interactions energy: -738.910
where: short stacking energy: -308.209
Base-Backbone interact. energy: -2.763
local terms energy: -324.567306
where:
bonds (distance) C4'-P energy: -71.444
bonds (distance) P-C4' energy: -65.024
flat angles C4'-P-C4' energy: -74.288
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -73.396
Dist. restrs. and SS energy: -163.800 (S_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: -1164.477228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.477228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.277228 (E_RNA)
where:
Base-Base interactions energy: -709.458
where: short stacking energy: -290.628
Base-Backbone interact. energy: -4.185
local terms energy: -299.634270
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -57.654
flat angles C4'-P-C4' energy: -62.418
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -83.841
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1095.089316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.089316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.089316 (E_RNA)
where:
Base-Base interactions energy: -617.463
where: short stacking energy: -257.699
Base-Backbone interact. energy: -2.868
local terms energy: -312.758367
where:
bonds (distance) C4'-P energy: -67.435
bonds (distance) P-C4' energy: -69.530
flat angles C4'-P-C4' energy: -63.078
flat angles P-C4'-P energy: -44.103
tors. eta vs tors. theta energy: -68.613
Dist. restrs. and SS energy: -162.000 (S_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: 39
Temperature: 1.200000
Total energy: -1039.288573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.288573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.088573 (E_RNA)
where:
Base-Base interactions energy: -593.997
where: short stacking energy: -212.999
Base-Backbone interact. energy: 0.517
local terms energy: -294.608345
where:
bonds (distance) C4'-P energy: -74.528
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -53.472
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -58.111
Dist. restrs. and SS energy: -151.200 (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: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -986.415964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.415964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.215964 (E_RNA)
where:
Base-Base interactions energy: -592.478
where: short stacking energy: -253.192
Base-Backbone interact. energy: -2.933
local terms energy: -266.805054
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -58.140
flat angles C4'-P-C4' energy: -59.355
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -57.548
Dist. restrs. and SS energy: -124.200 (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: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -901.033578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.033578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.833578 (E_RNA)
where:
Base-Base interactions energy: -509.763
where: short stacking energy: -226.466
Base-Backbone interact. energy: -1.491
local terms energy: -265.578848
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -60.260
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -46.712
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: -124.200 (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: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -756.830306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.830306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.230306 (E_RNA)
where:
Base-Base interactions energy: -409.906
where: short stacking energy: -201.336
Base-Backbone interact. energy: -1.377
local terms energy: -242.947564
where:
bonds (distance) C4'-P energy: -51.629
bonds (distance) P-C4' energy: -64.821
flat angles C4'-P-C4' energy: -53.943
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -44.318
Dist. restrs. and SS energy: -102.600 (S_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: 40
Temperature: 0.900000
Total energy: -1374.081545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.081545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.281545 (E_RNA)
where:
Base-Base interactions energy: -820.789
where: short stacking energy: -341.723
Base-Backbone interact. energy: -3.152
local terms energy: -350.340766
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -73.075
flat angles C4'-P-C4' energy: -68.499
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -83.719
Dist. restrs. and SS energy: -199.800 (S_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: 40
Temperature: 0.950000
Total energy: -1355.175662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.175662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.575662 (E_RNA)
where:
Base-Base interactions energy: -810.161
where: short stacking energy: -308.717
Base-Backbone interact. energy: -3.369
local terms energy: -349.045178
where:
bonds (distance) C4'-P energy: -64.170
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -82.137
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1279.572774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.572774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.172774 (E_RNA)
where:
Base-Base interactions energy: -776.448
where: short stacking energy: -307.476
Base-Backbone interact. energy: -3.209
local terms energy: -332.516414
where:
bonds (distance) C4'-P energy: -69.594
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -60.489
tors. eta vs tors. theta energy: -73.936
Dist. restrs. and SS energy: -167.400 (S_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: 40
Temperature: 1.050000
Total energy: -1225.667542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.667542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.067542 (E_RNA)
where:
Base-Base interactions energy: -706.807
where: short stacking energy: -294.432
Base-Backbone interact. energy: 0.191
local terms energy: -353.451255
where:
bonds (distance) C4'-P energy: -63.166
bonds (distance) P-C4' energy: -72.497
flat angles C4'-P-C4' energy: -70.761
flat angles P-C4'-P energy: -65.746
tors. eta vs tors. theta energy: -81.281
Dist. restrs. and SS energy: -165.600 (S_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: 40
Temperature: 1.100000
Total energy: -1169.410304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.410304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.010304 (E_RNA)
where:
Base-Base interactions energy: -696.691
where: short stacking energy: -266.068
Base-Backbone interact. energy: -2.565
local terms energy: -320.753932
where:
bonds (distance) C4'-P energy: -66.856
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -53.412
tors. eta vs tors. theta energy: -63.613
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1079.981784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.981784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.381784 (E_RNA)
where:
Base-Base interactions energy: -602.997
where: short stacking energy: -259.950
Base-Backbone interact. energy: -1.511
local terms energy: -309.874601
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -69.002
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -69.298
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1028.219527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.219527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.419527 (E_RNA)
where:
Base-Base interactions energy: -586.505
where: short stacking energy: -226.661
Base-Backbone interact. energy: 0.582
local terms energy: -287.496504
where:
bonds (distance) C4'-P energy: -60.358
bonds (distance) P-C4' energy: -65.242
flat angles C4'-P-C4' energy: -65.171
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -53.966
Dist. restrs. and SS energy: -154.800 (S_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: 40
Temperature: 1.250000
Total energy: -1029.552635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.552635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.952635 (E_RNA)
where:
Base-Base interactions energy: -622.727
where: short stacking energy: -244.625
Base-Backbone interact. energy: 1.241
local terms energy: -278.466392
where:
bonds (distance) C4'-P energy: -59.859
bonds (distance) P-C4' energy: -65.242
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -854.259459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.259459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.459459 (E_RNA)
where:
Base-Base interactions energy: -461.471
where: short stacking energy: -208.125
Base-Backbone interact. energy: 1.390
local terms energy: -275.378490
where:
bonds (distance) C4'-P energy: -61.890
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -58.451
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -713.058263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.058263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.258263 (E_RNA)
where:
Base-Base interactions energy: -377.667
where: short stacking energy: -159.630
Base-Backbone interact. energy: -0.192
local terms energy: -234.398680
where:
bonds (distance) C4'-P energy: -66.515
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -58.824
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: -100.800 (S_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: 41
Temperature: 0.900000
Total energy: -1356.592430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.592430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.592430 (E_RNA)
where:
Base-Base interactions energy: -782.935
where: short stacking energy: -323.577
Base-Backbone interact. energy: -2.655
local terms energy: -373.003293
where:
bonds (distance) C4'-P energy: -79.834
bonds (distance) P-C4' energy: -78.036
flat angles C4'-P-C4' energy: -77.583
flat angles P-C4'-P energy: -51.475
tors. eta vs tors. theta energy: -86.075
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1312.787726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.787726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.987726 (E_RNA)
where:
Base-Base interactions energy: -789.697
where: short stacking energy: -315.882
Base-Backbone interact. energy: -1.850
local terms energy: -357.440917
where:
bonds (distance) C4'-P energy: -54.551
bonds (distance) P-C4' energy: -78.448
flat angles C4'-P-C4' energy: -82.371
flat angles P-C4'-P energy: -58.494
tors. eta vs tors. theta energy: -83.577
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1320.407416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.407416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.407416 (E_RNA)
where:
Base-Base interactions energy: -781.814
where: short stacking energy: -310.447
Base-Backbone interact. energy: -1.866
local terms energy: -347.727075
where:
bonds (distance) C4'-P energy: -69.092
bonds (distance) P-C4' energy: -74.154
flat angles C4'-P-C4' energy: -74.466
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -84.867
Dist. restrs. and SS energy: -189.000 (S_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: 41
Temperature: 1.050000
Total energy: -1229.716244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.716244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.916244 (E_RNA)
where:
Base-Base interactions energy: -732.973
where: short stacking energy: -301.533
Base-Backbone interact. energy: -4.296
local terms energy: -328.648025
where:
bonds (distance) C4'-P energy: -60.598
bonds (distance) P-C4' energy: -64.925
flat angles C4'-P-C4' energy: -71.765
flat angles P-C4'-P energy: -50.327
tors. eta vs tors. theta energy: -81.033
Dist. restrs. and SS energy: -163.800 (S_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: 41
Temperature: 1.100000
Total energy: -1140.148122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.148122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.948122 (E_RNA)
where:
Base-Base interactions energy: -671.400
where: short stacking energy: -263.496
Base-Backbone interact. energy: -2.077
local terms energy: -315.470803
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -77.010
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -66.534
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1103.547916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.547916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.547916 (E_RNA)
where:
Base-Base interactions energy: -628.875
where: short stacking energy: -263.366
Base-Backbone interact. energy: -2.419
local terms energy: -310.254366
where:
bonds (distance) C4'-P energy: -73.659
bonds (distance) P-C4' energy: -74.418
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -37.670
tors. eta vs tors. theta energy: -59.888
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1020.487103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.487103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.287103 (E_RNA)
where:
Base-Base interactions energy: -570.628
where: short stacking energy: -236.996
Base-Backbone interact. energy: 0.201
local terms energy: -298.859584
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -61.570
flat angles C4'-P-C4' energy: -81.597
flat angles P-C4'-P energy: -43.067
tors. eta vs tors. theta energy: -56.478
Dist. restrs. and SS energy: -151.200 (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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -978.629716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.629716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.429716 (E_RNA)
where:
Base-Base interactions energy: -596.827
where: short stacking energy: -243.459
Base-Backbone interact. energy: -1.816
local terms energy: -255.787312
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: -45.842
Dist. restrs. and SS energy: -124.200 (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: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -853.850153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.850153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.250153 (E_RNA)
where:
Base-Base interactions energy: -469.612
where: short stacking energy: -210.421
Base-Backbone interact. energy: -0.444
local terms energy: -263.194882
where:
bonds (distance) C4'-P energy: -68.084
bonds (distance) P-C4' energy: -69.869
flat angles C4'-P-C4' energy: -55.329
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -33.479
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -698.259755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.259755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.059755 (E_RNA)
where:
Base-Base interactions energy: -369.038
where: short stacking energy: -171.973
Base-Backbone interact. energy: 0.776
local terms energy: -223.798179
where:
bonds (distance) C4'-P energy: -56.546
bonds (distance) P-C4' energy: -61.586
flat angles C4'-P-C4' energy: -54.271
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: -106.200 (S_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: 42
Temperature: 0.900000
Total energy: -1380.151153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.151153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.351153 (E_RNA)
where:
Base-Base interactions energy: -810.526
where: short stacking energy: -339.160
Base-Backbone interact. energy: -2.498
local terms energy: -367.326897
where:
bonds (distance) C4'-P energy: -76.742
bonds (distance) P-C4' energy: -70.123
flat angles C4'-P-C4' energy: -77.881
flat angles P-C4'-P energy: -55.084
tors. eta vs tors. theta energy: -87.496
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1308.769498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.769498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.769498 (E_RNA)
where:
Base-Base interactions energy: -822.607
where: short stacking energy: -324.815
Base-Backbone interact. energy: -1.061
local terms energy: -323.101044
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -65.992
flat angles C4'-P-C4' energy: -72.658
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: -76.025
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1355.107728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.107728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.107728 (E_RNA)
where:
Base-Base interactions energy: -807.614
where: short stacking energy: -317.470
Base-Backbone interact. energy: -3.751
local terms energy: -354.742927
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -79.787
flat angles C4'-P-C4' energy: -73.137
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -86.423
Dist. restrs. and SS energy: -189.000 (S_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: 42
Temperature: 1.050000
Total energy: -1236.809632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.809632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.009632 (E_RNA)
where:
Base-Base interactions energy: -742.078
where: short stacking energy: -289.122
Base-Backbone interact. energy: -3.209
local terms energy: -327.722717
where:
bonds (distance) C4'-P energy: -71.249
bonds (distance) P-C4' energy: -76.060
flat angles C4'-P-C4' energy: -65.386
flat angles P-C4'-P energy: -46.015
tors. eta vs tors. theta energy: -69.014
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1105.243865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.243865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.243865 (E_RNA)
where:
Base-Base interactions energy: -630.050
where: short stacking energy: -265.594
Base-Backbone interact. energy: -0.951
local terms energy: -312.242897
where:
bonds (distance) C4'-P energy: -64.755
bonds (distance) P-C4' energy: -71.996
flat angles C4'-P-C4' energy: -84.379
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -52.712
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1084.165740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.165740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.565740 (E_RNA)
where:
Base-Base interactions energy: -619.147
where: short stacking energy: -255.638
Base-Backbone interact. energy: 0.793
local terms energy: -318.211449
where:
bonds (distance) C4'-P energy: -71.571
bonds (distance) P-C4' energy: -69.438
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -50.806
tors. eta vs tors. theta energy: -62.195
Dist. restrs. and SS energy: -147.600 (S_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: 42
Temperature: 1.200000
Total energy: -1026.648128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.648128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.848128 (E_RNA)
where:
Base-Base interactions energy: -599.479
where: short stacking energy: -235.844
Base-Backbone interact. energy: 1.924
local terms energy: -283.292994
where:
bonds (distance) C4'-P energy: -67.026
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: -46.875
Dist. restrs. and SS energy: -145.800 (S_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: 42
Temperature: 1.250000
Total energy: -1005.979662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.979662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.579662 (E_RNA)
where:
Base-Base interactions energy: -607.483
where: short stacking energy: -266.297
Base-Backbone interact. energy: 0.792
local terms energy: -276.889082
where:
bonds (distance) C4'-P energy: -62.236
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -56.943
flat angles P-C4'-P energy: -41.491
tors. eta vs tors. theta energy: -63.110
Dist. restrs. and SS energy: -122.400 (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: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -807.043459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.043459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.643459 (E_RNA)
where:
Base-Base interactions energy: -438.575
where: short stacking energy: -185.225
Base-Backbone interact. energy: 2.421
local terms energy: -248.489970
where:
bonds (distance) C4'-P energy: -40.999
bonds (distance) P-C4' energy: -65.745
flat angles C4'-P-C4' energy: -67.364
flat angles P-C4'-P energy: -42.489
tors. eta vs tors. theta energy: -31.892
Dist. restrs. and SS energy: -122.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -725.231133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.231133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.831133 (E_RNA)
where:
Base-Base interactions energy: -392.506
where: short stacking energy: -161.760
Base-Backbone interact. energy: -1.901
local terms energy: -226.424230
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -52.655
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: -104.400 (S_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: 43
Temperature: 0.900000
Total energy: -1408.777091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.777091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.977091 (E_RNA)
where:
Base-Base interactions energy: -812.773
where: short stacking energy: -354.627
Base-Backbone interact. energy: -3.038
local terms energy: -393.165904
where:
bonds (distance) C4'-P energy: -81.584
bonds (distance) P-C4' energy: -77.233
flat angles C4'-P-C4' energy: -82.606
flat angles P-C4'-P energy: -56.206
tors. eta vs tors. theta energy: -95.537
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1373.709854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.709854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.109854 (E_RNA)
where:
Base-Base interactions energy: -830.474
where: short stacking energy: -341.018
Base-Backbone interact. energy: -1.888
local terms energy: -357.747677
where:
bonds (distance) C4'-P energy: -70.589
bonds (distance) P-C4' energy: -70.135
flat angles C4'-P-C4' energy: -76.692
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: -92.140
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1281.801951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.801951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.401951 (E_RNA)
where:
Base-Base interactions energy: -779.169
where: short stacking energy: -309.927
Base-Backbone interact. energy: 1.024
local terms energy: -345.256810
where:
bonds (distance) C4'-P energy: -69.943
bonds (distance) P-C4' energy: -60.390
flat angles C4'-P-C4' energy: -83.862
flat angles P-C4'-P energy: -51.042
tors. eta vs tors. theta energy: -80.019
Dist. restrs. and SS energy: -158.400 (S_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: 43
Temperature: 1.050000
Total energy: -1225.096371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.096371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.296371 (E_RNA)
where:
Base-Base interactions energy: -725.340
where: short stacking energy: -309.686
Base-Backbone interact. energy: 1.020
local terms energy: -336.976185
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -76.256
flat angles C4'-P-C4' energy: -75.969
flat angles P-C4'-P energy: -55.412
tors. eta vs tors. theta energy: -73.282
Dist. restrs. and SS energy: -163.800 (S_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: 43
Temperature: 1.100000
Total energy: -1104.374765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.374765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.374765 (E_RNA)
where:
Base-Base interactions energy: -639.644
where: short stacking energy: -253.046
Base-Backbone interact. energy: -3.886
local terms energy: -298.845108
where:
bonds (distance) C4'-P energy: -71.083
bonds (distance) P-C4' energy: -63.341
flat angles C4'-P-C4' energy: -61.714
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -59.840
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1073.622387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.622387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.022387 (E_RNA)
where:
Base-Base interactions energy: -632.708
where: short stacking energy: -270.349
Base-Backbone interact. energy: 1.440
local terms energy: -294.754735
where:
bonds (distance) C4'-P energy: -60.920
bonds (distance) P-C4' energy: -55.421
flat angles C4'-P-C4' energy: -67.464
flat angles P-C4'-P energy: -44.040
tors. eta vs tors. theta energy: -66.909
Dist. restrs. and SS energy: -147.600 (S_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: 43
Temperature: 1.200000
Total energy: -1009.410280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.410280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.010280 (E_RNA)
where:
Base-Base interactions energy: -583.836
where: short stacking energy: -245.184
Base-Backbone interact. energy: -3.474
local terms energy: -272.700589
where:
bonds (distance) C4'-P energy: -48.954
bonds (distance) P-C4' energy: -64.685
flat angles C4'-P-C4' energy: -66.665
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -54.788
Dist. restrs. and SS energy: -149.400 (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: 43
Temperature: 1.250000
Total energy: -1017.772680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.772680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.172680 (E_RNA)
where:
Base-Base interactions energy: -602.798
where: short stacking energy: -240.142
Base-Backbone interact. energy: 1.601
local terms energy: -286.975544
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -52.874
flat angles C4'-P-C4' energy: -70.683
flat angles P-C4'-P energy: -42.417
tors. eta vs tors. theta energy: -64.669
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -869.984775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.984775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.384775 (E_RNA)
where:
Base-Base interactions energy: -483.915
where: short stacking energy: -189.042
Base-Backbone interact. energy: 3.897
local terms energy: -242.367238
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -54.553
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -30.792
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -709.020713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.020713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.220713 (E_RNA)
where:
Base-Base interactions energy: -380.502
where: short stacking energy: -171.953
Base-Backbone interact. energy: -0.096
local terms energy: -218.623015
where:
bonds (distance) C4'-P energy: -50.540
bonds (distance) P-C4' energy: -63.109
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: -109.800 (S_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: 44
Temperature: 0.900000
Total energy: -1397.270927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.270927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.470927 (E_RNA)
where:
Base-Base interactions energy: -829.818
where: short stacking energy: -365.267
Base-Backbone interact. energy: -0.667
local terms energy: -366.986144
where:
bonds (distance) C4'-P energy: -71.500
bonds (distance) P-C4' energy: -71.499
flat angles C4'-P-C4' energy: -78.641
flat angles P-C4'-P energy: -55.796
tors. eta vs tors. theta energy: -89.550
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1354.353284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.353284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.953284 (E_RNA)
where:
Base-Base interactions energy: -806.587
where: short stacking energy: -318.839
Base-Backbone interact. energy: -2.781
local terms energy: -359.585304
where:
bonds (distance) C4'-P energy: -61.501
bonds (distance) P-C4' energy: -75.347
flat angles C4'-P-C4' energy: -83.563
flat angles P-C4'-P energy: -50.430
tors. eta vs tors. theta energy: -88.744
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. 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: -1283.513698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.513698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.113698 (E_RNA)
where:
Base-Base interactions energy: -792.665
where: short stacking energy: -318.306
Base-Backbone interact. energy: -0.948
local terms energy: -331.500042
where:
bonds (distance) C4'-P energy: -58.588
bonds (distance) P-C4' energy: -74.489
flat angles C4'-P-C4' energy: -72.400
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -86.226
Dist. restrs. and SS energy: -158.400 (S_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: 44
Temperature: 1.050000
Total energy: -1259.559760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.559760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.759760 (E_RNA)
where:
Base-Base interactions energy: -765.121
where: short stacking energy: -321.996
Base-Backbone interact. energy: 3.455
local terms energy: -334.093843
where:
bonds (distance) C4'-P energy: -61.656
bonds (distance) P-C4' energy: -70.232
flat angles C4'-P-C4' energy: -70.823
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -84.048
Dist. restrs. and SS energy: -163.800 (S_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: 44
Temperature: 1.100000
Total energy: -1126.933372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.933372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.933372 (E_RNA)
where:
Base-Base interactions energy: -664.731
where: short stacking energy: -273.368
Base-Backbone interact. energy: -2.071
local terms energy: -298.131666
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -64.551
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -62.155
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1063.949581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.949581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.349581 (E_RNA)
where:
Base-Base interactions energy: -636.954
where: short stacking energy: -272.188
Base-Backbone interact. energy: -1.873
local terms energy: -277.521947
where:
bonds (distance) C4'-P energy: -64.301
bonds (distance) P-C4' energy: -53.386
flat angles C4'-P-C4' energy: -65.299
flat angles P-C4'-P energy: -28.693
tors. eta vs tors. theta energy: -65.844
Dist. restrs. and SS energy: -147.600 (S_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: -1104.424222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.424222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.424222 (E_RNA)
where:
Base-Base interactions energy: -670.059
where: short stacking energy: -276.774
Base-Backbone interact. energy: -1.446
local terms energy: -306.918950
where:
bonds (distance) C4'-P energy: -61.126
bonds (distance) P-C4' energy: -58.286
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -47.119
tors. eta vs tors. theta energy: -82.300
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -986.288021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.288021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.288021 (E_RNA)
where:
Base-Base interactions energy: -560.212
where: short stacking energy: -214.810
Base-Backbone interact. energy: -2.073
local terms energy: -280.003192
where:
bonds (distance) C4'-P energy: -61.397
bonds (distance) P-C4' energy: -62.234
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -50.423
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. 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: -880.268006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.268006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.868006 (E_RNA)
where:
Base-Base interactions energy: -456.614
where: short stacking energy: -183.113
Base-Backbone interact. energy: -0.176
local terms energy: -265.077805
where:
bonds (distance) C4'-P energy: -57.064
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -42.284
tors. eta vs tors. theta energy: -41.799
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -736.980643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.980643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.180643 (E_RNA)
where:
Base-Base interactions energy: -399.820
where: short stacking energy: -180.083
Base-Backbone interact. energy: -1.076
local terms energy: -217.284453
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -70.930
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: -118.800 (S_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: 45
Temperature: 0.900000
Total energy: -1418.879393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.879393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.279393 (E_RNA)
where:
Base-Base interactions energy: -835.242
where: short stacking energy: -357.374
Base-Backbone interact. energy: -3.162
local terms energy: -378.875035
where:
bonds (distance) C4'-P energy: -65.947
bonds (distance) P-C4' energy: -83.231
flat angles C4'-P-C4' energy: -81.096
flat angles P-C4'-P energy: -53.640
tors. eta vs tors. theta energy: -94.962
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1340.971108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.971108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.971108 (E_RNA)
where:
Base-Base interactions energy: -794.671
where: short stacking energy: -314.933
Base-Backbone interact. energy: -0.596
local terms energy: -356.703478
where:
bonds (distance) C4'-P energy: -76.022
bonds (distance) P-C4' energy: -73.119
flat angles C4'-P-C4' energy: -75.210
flat angles P-C4'-P energy: -52.839
tors. eta vs tors. theta energy: -79.512
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. 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: -1272.352706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.352706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.952706 (E_RNA)
where:
Base-Base interactions energy: -758.507
where: short stacking energy: -305.001
Base-Backbone interact. energy: -2.102
local terms energy: -353.343537
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -72.992
flat angles C4'-P-C4' energy: -83.354
flat angles P-C4'-P energy: -49.650
tors. eta vs tors. theta energy: -80.185
Dist. restrs. and SS energy: -158.400 (S_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: 45
Temperature: 1.050000
Total energy: -1210.336498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.336498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.536498 (E_RNA)
where:
Base-Base interactions energy: -706.505
where: short stacking energy: -301.187
Base-Backbone interact. energy: -3.145
local terms energy: -336.886231
where:
bonds (distance) C4'-P energy: -70.482
bonds (distance) P-C4' energy: -67.681
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: -80.179
Dist. restrs. and SS energy: -163.800 (S_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: -1187.793783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.793783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.793783 (E_RNA)
where:
Base-Base interactions energy: -711.376
where: short stacking energy: -289.204
Base-Backbone interact. energy: -0.759
local terms energy: -313.658765
where:
bonds (distance) C4'-P energy: -66.097
bonds (distance) P-C4' energy: -68.663
flat angles C4'-P-C4' energy: -73.765
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -71.423
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1069.923750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.923750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.723750 (E_RNA)
where:
Base-Base interactions energy: -613.910
where: short stacking energy: -240.962
Base-Backbone interact. energy: 2.978
local terms energy: -307.791540
where:
bonds (distance) C4'-P energy: -66.185
bonds (distance) P-C4' energy: -66.487
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -47.464
tors. eta vs tors. theta energy: -56.612
Dist. restrs. and SS energy: -151.200 (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: 45
Temperature: 1.200000
Total energy: -1060.346360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.346360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.546360 (E_RNA)
where:
Base-Base interactions energy: -623.568
where: short stacking energy: -274.638
Base-Backbone interact. energy: -1.152
local terms energy: -307.826746
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -74.349
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -54.702
tors. eta vs tors. theta energy: -65.699
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -987.335670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.335670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.935670 (E_RNA)
where:
Base-Base interactions energy: -555.731
where: short stacking energy: -250.475
Base-Backbone interact. energy: 1.650
local terms energy: -292.854717
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -78.228
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: -140.400 (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: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -879.141005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.141005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.141005 (E_RNA)
where:
Base-Base interactions energy: -496.403
where: short stacking energy: -216.071
Base-Backbone interact. energy: 1.286
local terms energy: -258.023887
where:
bonds (distance) C4'-P energy: -42.075
bonds (distance) P-C4' energy: -57.280
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -45.664
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -701.665638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.665638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.065638 (E_RNA)
where:
Base-Base interactions energy: -363.752
where: short stacking energy: -151.621
Base-Backbone interact. energy: -2.332
local terms energy: -214.982030
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -53.121
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: -120.600 (S_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: 46
Temperature: 0.900000
Total energy: -1384.431486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.431486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.031486 (E_RNA)
where:
Base-Base interactions energy: -830.228
where: short stacking energy: -338.915
Base-Backbone interact. energy: -1.606
local terms energy: -349.197674
where:
bonds (distance) C4'-P energy: -77.553
bonds (distance) P-C4' energy: -65.816
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -54.068
tors. eta vs tors. theta energy: -84.016
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1338.920736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.920736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.320736 (E_RNA)
where:
Base-Base interactions energy: -797.810
where: short stacking energy: -329.684
Base-Backbone interact. energy: -1.613
local terms energy: -355.897665
where:
bonds (distance) C4'-P energy: -67.865
bonds (distance) P-C4' energy: -76.347
flat angles C4'-P-C4' energy: -76.740
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -83.999
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1286.565620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.565620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.365620 (E_RNA)
where:
Base-Base interactions energy: -765.696
where: short stacking energy: -303.306
Base-Backbone interact. energy: -0.305
local terms energy: -360.364855
where:
bonds (distance) C4'-P energy: -68.380
bonds (distance) P-C4' energy: -74.756
flat angles C4'-P-C4' energy: -77.793
flat angles P-C4'-P energy: -59.820
tors. eta vs tors. theta energy: -79.616
Dist. restrs. and SS energy: -160.200 (S_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: 46
Temperature: 1.050000
Total energy: -1199.646537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.646537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.046537 (E_RNA)
where:
Base-Base interactions energy: -708.526
where: short stacking energy: -316.294
Base-Backbone interact. energy: -0.661
local terms energy: -324.859423
where:
bonds (distance) C4'-P energy: -61.879
bonds (distance) P-C4' energy: -73.543
flat angles C4'-P-C4' energy: -74.483
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -77.252
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1169.733699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.733699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.933699 (E_RNA)
where:
Base-Base interactions energy: -675.055
where: short stacking energy: -269.484
Base-Backbone interact. energy: -4.987
local terms energy: -325.892138
where:
bonds (distance) C4'-P energy: -71.047
bonds (distance) P-C4' energy: -66.253
flat angles C4'-P-C4' energy: -68.269
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -77.683
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1090.695619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.695619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.495619 (E_RNA)
where:
Base-Base interactions energy: -631.696
where: short stacking energy: -255.884
Base-Backbone interact. energy: 2.932
local terms energy: -310.731817
where:
bonds (distance) C4'-P energy: -73.560
bonds (distance) P-C4' energy: -68.468
flat angles C4'-P-C4' energy: -72.629
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -61.270
Dist. restrs. and SS energy: -151.200 (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: 46
Temperature: 1.200000
Total energy: -1057.457267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.457267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.457267 (E_RNA)
where:
Base-Base interactions energy: -628.412
where: short stacking energy: -272.119
Base-Backbone interact. energy: -0.075
local terms energy: -302.970012
where:
bonds (distance) C4'-P energy: -72.342
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -68.160
flat angles P-C4'-P energy: -39.826
tors. eta vs tors. theta energy: -70.094
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -994.743332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.743332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.343332 (E_RNA)
where:
Base-Base interactions energy: -586.717
where: short stacking energy: -234.727
Base-Backbone interact. energy: -1.962
local terms energy: -274.663921
where:
bonds (distance) C4'-P energy: -62.833
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -67.263
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -51.282
Dist. restrs. and SS energy: -131.400 (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: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -850.004750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.004750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.804750 (E_RNA)
where:
Base-Base interactions energy: -474.568
where: short stacking energy: -201.613
Base-Backbone interact. energy: 0.045
local terms energy: -251.282162
where:
bonds (distance) C4'-P energy: -42.941
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -43.199
flat angles P-C4'-P energy: -48.392
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: -124.200 (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: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -760.751895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.751895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.751895 (E_RNA)
where:
Base-Base interactions energy: -410.765
where: short stacking energy: -175.678
Base-Backbone interact. energy: -2.049
local terms energy: -221.937918
where:
bonds (distance) C4'-P energy: -58.581
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -59.067
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: -126.000 (S_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: 47
Temperature: 0.900000
Total energy: -1392.486329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.486329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.486329 (E_RNA)
where:
Base-Base interactions energy: -834.292
where: short stacking energy: -350.935
Base-Backbone interact. energy: 0.342
local terms energy: -360.537015
where:
bonds (distance) C4'-P energy: -71.132
bonds (distance) P-C4' energy: -70.007
flat angles C4'-P-C4' energy: -76.460
flat angles P-C4'-P energy: -51.533
tors. eta vs tors. theta energy: -91.406
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1320.049928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.049928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.649928 (E_RNA)
where:
Base-Base interactions energy: -778.653
where: short stacking energy: -327.570
Base-Backbone interact. energy: 0.761
local terms energy: -356.758579
where:
bonds (distance) C4'-P energy: -69.028
bonds (distance) P-C4' energy: -77.546
flat angles C4'-P-C4' energy: -82.556
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -82.502
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1292.709088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.709088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.309088 (E_RNA)
where:
Base-Base interactions energy: -776.052
where: short stacking energy: -311.438
Base-Backbone interact. energy: -2.165
local terms energy: -356.091621
where:
bonds (distance) C4'-P energy: -71.082
bonds (distance) P-C4' energy: -70.528
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -50.189
tors. eta vs tors. theta energy: -88.557
Dist. restrs. and SS energy: -158.400 (S_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: 47
Temperature: 1.050000
Total energy: -1217.468995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.468995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.468995 (E_RNA)
where:
Base-Base interactions energy: -711.130
where: short stacking energy: -318.755
Base-Backbone interact. energy: -0.217
local terms energy: -344.122105
where:
bonds (distance) C4'-P energy: -69.156
bonds (distance) P-C4' energy: -70.015
flat angles C4'-P-C4' energy: -76.612
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -89.638
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1184.587853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.587853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.787853 (E_RNA)
where:
Base-Base interactions energy: -678.826
where: short stacking energy: -288.514
Base-Backbone interact. energy: -3.603
local terms energy: -338.358084
where:
bonds (distance) C4'-P energy: -73.811
bonds (distance) P-C4' energy: -63.602
flat angles C4'-P-C4' energy: -69.220
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -77.438
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1071.527523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.527523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.927523 (E_RNA)
where:
Base-Base interactions energy: -610.421
where: short stacking energy: -247.104
Base-Backbone interact. energy: 2.741
local terms energy: -307.247382
where:
bonds (distance) C4'-P energy: -53.664
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -69.398
flat angles P-C4'-P energy: -55.944
tors. eta vs tors. theta energy: -55.650
Dist. restrs. and SS energy: -156.600 (S_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: 47
Temperature: 1.200000
Total energy: -1092.154901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.154901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.354901 (E_RNA)
where:
Base-Base interactions energy: -645.626
where: short stacking energy: -271.830
Base-Backbone interact. energy: 0.537
local terms energy: -319.265887
where:
bonds (distance) C4'-P energy: -70.643
bonds (distance) P-C4' energy: -61.467
flat angles C4'-P-C4' energy: -65.205
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -75.387
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -958.290532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.290532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.090532 (E_RNA)
where:
Base-Base interactions energy: -543.763
where: short stacking energy: -229.204
Base-Backbone interact. energy: -0.505
local terms energy: -271.823086
where:
bonds (distance) C4'-P energy: -49.956
bonds (distance) P-C4' energy: -61.159
flat angles C4'-P-C4' energy: -74.412
flat angles P-C4'-P energy: -37.016
tors. eta vs tors. theta energy: -49.279
Dist. restrs. and SS energy: -142.200 (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: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -869.370647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.370647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.170647 (E_RNA)
where:
Base-Base interactions energy: -466.366
where: short stacking energy: -224.599
Base-Backbone interact. energy: -1.034
local terms energy: -277.770484
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -61.480
flat angles C4'-P-C4' energy: -76.753
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -46.979
Dist. restrs. and SS energy: -124.200 (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: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -809.966673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.966673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.966673 (E_RNA)
where:
Base-Base interactions energy: -458.818
where: short stacking energy: -183.126
Base-Backbone interact. energy: 0.482
local terms energy: -216.631025
where:
bonds (distance) C4'-P energy: -54.421
bonds (distance) P-C4' energy: -49.295
flat angles C4'-P-C4' energy: -51.247
flat angles P-C4'-P energy: -41.137
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: -135.000 (S_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: 48
Temperature: 0.900000
Total energy: -1403.217057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.217057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.617057 (E_RNA)
where:
Base-Base interactions energy: -834.428
where: short stacking energy: -352.639
Base-Backbone interact. energy: -1.724
local terms energy: -365.465083
where:
bonds (distance) C4'-P energy: -65.136
bonds (distance) P-C4' energy: -76.730
flat angles C4'-P-C4' energy: -76.521
flat angles P-C4'-P energy: -47.169
tors. eta vs tors. theta energy: -99.910
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1350.952051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.952051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.952051 (E_RNA)
where:
Base-Base interactions energy: -820.015
where: short stacking energy: -316.176
Base-Backbone interact. energy: -2.286
local terms energy: -339.651022
where:
bonds (distance) C4'-P energy: -65.910
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -80.328
flat angles P-C4'-P energy: -56.139
tors. eta vs tors. theta energy: -74.156
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1288.550114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.550114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.350114 (E_RNA)
where:
Base-Base interactions energy: -769.052
where: short stacking energy: -300.803
Base-Backbone interact. energy: -3.728
local terms energy: -355.570260
where:
bonds (distance) C4'-P energy: -81.407
bonds (distance) P-C4' energy: -75.343
flat angles C4'-P-C4' energy: -81.693
flat angles P-C4'-P energy: -45.660
tors. eta vs tors. theta energy: -71.468
Dist. restrs. and SS energy: -160.200 (S_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: 48
Temperature: 1.050000
Total energy: -1236.778471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.778471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.578471 (E_RNA)
where:
Base-Base interactions energy: -735.151
where: short stacking energy: -327.300
Base-Backbone interact. energy: 0.463
local terms energy: -341.891073
where:
bonds (distance) C4'-P energy: -67.042
bonds (distance) P-C4' energy: -62.257
flat angles C4'-P-C4' energy: -71.815
flat angles P-C4'-P energy: -51.363
tors. eta vs tors. theta energy: -89.413
Dist. restrs. and SS energy: -160.200 (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: 48
Temperature: 1.100000
Total energy: -1170.098284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.098284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.698284 (E_RNA)
where:
Base-Base interactions energy: -661.986
where: short stacking energy: -293.479
Base-Backbone interact. energy: -2.089
local terms energy: -347.623658
where:
bonds (distance) C4'-P energy: -70.343
bonds (distance) P-C4' energy: -78.928
flat angles C4'-P-C4' energy: -71.627
flat angles P-C4'-P energy: -51.800
tors. eta vs tors. theta energy: -74.925
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1092.791490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.791490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.991490 (E_RNA)
where:
Base-Base interactions energy: -645.063
where: short stacking energy: -268.552
Base-Backbone interact. energy: -1.135
local terms energy: -291.792892
where:
bonds (distance) C4'-P energy: -57.071
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -31.812
tors. eta vs tors. theta energy: -70.417
Dist. restrs. and SS energy: -154.800 (S_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: 48
Temperature: 1.200000
Total energy: -1096.328486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.328486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.128486 (E_RNA)
where:
Base-Base interactions energy: -644.263
where: short stacking energy: -266.693
Base-Backbone interact. energy: -4.268
local terms energy: -323.596777
where:
bonds (distance) C4'-P energy: -64.331
bonds (distance) P-C4' energy: -69.923
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -52.350
tors. eta vs tors. theta energy: -65.005
Dist. restrs. and SS energy: -124.200 (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: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -944.156471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.156471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.156471 (E_RNA)
where:
Base-Base interactions energy: -542.682
where: short stacking energy: -214.745
Base-Backbone interact. energy: -1.534
local terms energy: -255.940420
where:
bonds (distance) C4'-P energy: -44.277
bonds (distance) P-C4' energy: -58.670
flat angles C4'-P-C4' energy: -68.748
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -48.681
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -895.371821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.371821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.771821 (E_RNA)
where:
Base-Base interactions energy: -498.026
where: short stacking energy: -208.843
Base-Backbone interact. energy: 2.749
local terms energy: -261.494918
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -59.949
flat angles C4'-P-C4' energy: -65.435
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -829.882917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.882917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.282917 (E_RNA)
where:
Base-Base interactions energy: -429.730
where: short stacking energy: -177.970
Base-Backbone interact. energy: -0.557
local terms energy: -251.995423
where:
bonds (distance) C4'-P energy: -58.882
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -64.450
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -29.489
Dist. restrs. and SS energy: -147.600 (S_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: 49
Temperature: 0.900000
Total energy: -1394.995412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.995412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.995412 (E_RNA)
where:
Base-Base interactions energy: -833.858
where: short stacking energy: -344.975
Base-Backbone interact. energy: -2.183
local terms energy: -360.954295
where:
bonds (distance) C4'-P energy: -69.670
bonds (distance) P-C4' energy: -70.124
flat angles C4'-P-C4' energy: -84.713
flat angles P-C4'-P energy: -51.358
tors. eta vs tors. theta energy: -85.089
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1347.111798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.111798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.311798 (E_RNA)
where:
Base-Base interactions energy: -798.084
where: short stacking energy: -304.609
Base-Backbone interact. energy: -3.896
local terms energy: -354.332035
where:
bonds (distance) C4'-P energy: -76.413
bonds (distance) P-C4' energy: -73.027
flat angles C4'-P-C4' energy: -73.906
flat angles P-C4'-P energy: -48.302
tors. eta vs tors. theta energy: -82.683
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1273.218073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.218073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.218073 (E_RNA)
where:
Base-Base interactions energy: -779.270
where: short stacking energy: -313.181
Base-Backbone interact. energy: 1.652
local terms energy: -333.600377
where:
bonds (distance) C4'-P energy: -43.850
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -51.623
tors. eta vs tors. theta energy: -80.513
Dist. restrs. and SS energy: -162.000 (S_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: 49
Temperature: 1.050000
Total energy: -1243.844304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.844304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.044304 (E_RNA)
where:
Base-Base interactions energy: -741.470
where: short stacking energy: -315.325
Base-Backbone interact. energy: -0.530
local terms energy: -338.044389
where:
bonds (distance) C4'-P energy: -61.793
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -71.928
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -91.861
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1165.520880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.520880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.920880 (E_RNA)
where:
Base-Base interactions energy: -669.555
where: short stacking energy: -276.580
Base-Backbone interact. energy: -1.420
local terms energy: -328.946600
where:
bonds (distance) C4'-P energy: -66.994
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -73.261
flat angles P-C4'-P energy: -52.722
tors. eta vs tors. theta energy: -67.410
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1104.728157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.728157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.328157 (E_RNA)
where:
Base-Base interactions energy: -668.299
where: short stacking energy: -276.545
Base-Backbone interact. energy: -3.114
local terms energy: -301.915114
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -60.507
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -69.445
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1058.678577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.678577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.278577 (E_RNA)
where:
Base-Base interactions energy: -624.538
where: short stacking energy: -262.034
Base-Backbone interact. energy: -2.272
local terms energy: -273.468970
where:
bonds (distance) C4'-P energy: -58.678
bonds (distance) P-C4' energy: -66.242
flat angles C4'-P-C4' energy: -62.593
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -58.196
Dist. restrs. and SS energy: -158.400 (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: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -934.965704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.965704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.765704 (E_RNA)
where:
Base-Base interactions energy: -513.552
where: short stacking energy: -203.788
Base-Backbone interact. energy: -2.072
local terms energy: -277.142219
where:
bonds (distance) C4'-P energy: -60.260
bonds (distance) P-C4' energy: -66.446
flat angles C4'-P-C4' energy: -66.639
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -53.537
Dist. restrs. and SS energy: -142.200 (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: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -862.856724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.856724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.456724 (E_RNA)
where:
Base-Base interactions energy: -483.660
where: short stacking energy: -204.919
Base-Backbone interact. energy: -1.498
local terms energy: -237.298483
where:
bonds (distance) C4'-P energy: -61.141
bonds (distance) P-C4' energy: -62.482
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -31.939
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -938.719444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.719444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.119444 (E_RNA)
where:
Base-Base interactions energy: -511.750
where: short stacking energy: -235.097
Base-Backbone interact. energy: 0.599
local terms energy: -270.968181
where:
bonds (distance) C4'-P energy: -46.299
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -56.498
Dist. restrs. and SS energy: -156.600 (S_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: 50
Temperature: 0.900000
Total energy: -1360.423557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.423557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.223557 (E_RNA)
where:
Base-Base interactions energy: -819.197
where: short stacking energy: -331.208
Base-Backbone interact. energy: -3.337
local terms energy: -350.689538
where:
bonds (distance) C4'-P energy: -67.596
bonds (distance) P-C4' energy: -70.037
flat angles C4'-P-C4' energy: -83.740
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -85.279
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1400.514576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.514576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.714576 (E_RNA)
where:
Base-Base interactions energy: -846.938
where: short stacking energy: -329.915
Base-Backbone interact. energy: -1.776
local terms energy: -352.001019
where:
bonds (distance) C4'-P energy: -60.965
bonds (distance) P-C4' energy: -70.262
flat angles C4'-P-C4' energy: -82.135
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -86.047
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1290.177406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.177406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.177406 (E_RNA)
where:
Base-Base interactions energy: -785.337
where: short stacking energy: -314.726
Base-Backbone interact. energy: -2.144
local terms energy: -340.696688
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -61.591
flat angles C4'-P-C4' energy: -74.254
flat angles P-C4'-P energy: -49.563
tors. eta vs tors. theta energy: -87.098
Dist. restrs. and SS energy: -162.000 (S_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: 50
Temperature: 1.050000
Total energy: -1231.810724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.810724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.410724 (E_RNA)
where:
Base-Base interactions energy: -713.562
where: short stacking energy: -307.521
Base-Backbone interact. energy: -2.349
local terms energy: -357.500179
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -80.368
flat angles C4'-P-C4' energy: -77.723
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -84.121
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1201.395525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.395525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.395525 (E_RNA)
where:
Base-Base interactions energy: -697.686
where: short stacking energy: -292.539
Base-Backbone interact. energy: -4.695
local terms energy: -337.014110
where:
bonds (distance) C4'-P energy: -67.673
bonds (distance) P-C4' energy: -67.696
flat angles C4'-P-C4' energy: -68.926
flat angles P-C4'-P energy: -54.387
tors. eta vs tors. theta energy: -78.332
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1093.426699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.426699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.626699 (E_RNA)
where:
Base-Base interactions energy: -652.598
where: short stacking energy: -281.925
Base-Backbone interact. energy: -0.470
local terms energy: -312.558835
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -71.751
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: -75.180
Dist. restrs. and SS energy: -127.800 (S_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: -1073.219035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.219035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.219035 (E_RNA)
where:
Base-Base interactions energy: -614.914
where: short stacking energy: -262.518
Base-Backbone interact. energy: -0.942
local terms energy: -295.362951
where:
bonds (distance) C4'-P energy: -63.137
bonds (distance) P-C4' energy: -62.304
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -33.591
tors. eta vs tors. theta energy: -63.696
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -939.900642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.900642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.900642 (E_RNA)
where:
Base-Base interactions energy: -517.307
where: short stacking energy: -211.976
Base-Backbone interact. energy: -0.021
local terms energy: -278.572621
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -71.575
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -964.325215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.325215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.125215 (E_RNA)
where:
Base-Base interactions energy: -549.970
where: short stacking energy: -222.956
Base-Backbone interact. energy: -1.212
local terms energy: -252.943741
where:
bonds (distance) C4'-P energy: -55.662
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -24.059
tors. eta vs tors. theta energy: -50.264
Dist. restrs. and SS energy: -160.200 (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: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -813.727382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.727382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.327382 (E_RNA)
where:
Base-Base interactions energy: -434.055
where: short stacking energy: -184.413
Base-Backbone interact. energy: 2.107
local terms energy: -241.379403
where:
bonds (distance) C4'-P energy: -61.501
bonds (distance) P-C4' energy: -65.170
flat angles C4'-P-C4' energy: -66.213
flat angles P-C4'-P energy: -32.060
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: -140.400 (S_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: 51
Temperature: 0.900000
Total energy: -1358.999119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.999119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.999119 (E_RNA)
where:
Base-Base interactions energy: -820.059
where: short stacking energy: -347.269
Base-Backbone interact. energy: -2.487
local terms energy: -347.453486
where:
bonds (distance) C4'-P energy: -72.359
bonds (distance) P-C4' energy: -69.701
flat angles C4'-P-C4' energy: -73.123
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -84.617
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1383.479766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.479766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.079766 (E_RNA)
where:
Base-Base interactions energy: -827.356
where: short stacking energy: -327.241
Base-Backbone interact. energy: -1.825
local terms energy: -359.898791
where:
bonds (distance) C4'-P energy: -66.324
bonds (distance) P-C4' energy: -79.930
flat angles C4'-P-C4' energy: -84.104
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -83.620
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1289.084866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.084866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.284866 (E_RNA)
where:
Base-Base interactions energy: -780.530
where: short stacking energy: -309.900
Base-Backbone interact. energy: -1.350
local terms energy: -343.405293
where:
bonds (distance) C4'-P energy: -70.682
bonds (distance) P-C4' energy: -66.941
flat angles C4'-P-C4' energy: -78.783
flat angles P-C4'-P energy: -45.778
tors. eta vs tors. theta energy: -81.222
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1176.736352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.736352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.136352 (E_RNA)
where:
Base-Base interactions energy: -700.503
where: short stacking energy: -282.829
Base-Backbone interact. energy: -0.879
local terms energy: -309.754949
where:
bonds (distance) C4'-P energy: -64.216
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -58.238
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -73.665
Dist. restrs. and SS energy: -165.600 (S_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: 51
Temperature: 1.100000
Total energy: -1173.707174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.707174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.907174 (E_RNA)
where:
Base-Base interactions energy: -670.440
where: short stacking energy: -285.467
Base-Backbone interact. energy: -2.502
local terms energy: -336.964747
where:
bonds (distance) C4'-P energy: -63.079
bonds (distance) P-C4' energy: -62.966
flat angles C4'-P-C4' energy: -70.433
flat angles P-C4'-P energy: -58.614
tors. eta vs tors. theta energy: -81.873
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1120.857831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.857831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.057831 (E_RNA)
where:
Base-Base interactions energy: -669.994
where: short stacking energy: -284.672
Base-Backbone interact. energy: -1.611
local terms energy: -321.452706
where:
bonds (distance) C4'-P energy: -64.656
bonds (distance) P-C4' energy: -65.110
flat angles C4'-P-C4' energy: -67.986
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: -82.336
Dist. restrs. and SS energy: -127.800 (S_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: 51
Temperature: 1.200000
Total energy: -1049.571952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.571952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.371952 (E_RNA)
where:
Base-Base interactions energy: -601.263
where: short stacking energy: -236.198
Base-Backbone interact. energy: -2.111
local terms energy: -285.998089
where:
bonds (distance) C4'-P energy: -64.368
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -64.670
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -52.297
Dist. restrs. and SS energy: -160.200 (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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1041.290659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.290659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.490659 (E_RNA)
where:
Base-Base interactions energy: -588.428
where: short stacking energy: -242.604
Base-Backbone interact. energy: 0.182
local terms energy: -289.245404
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -67.447
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -45.621
tors. eta vs tors. theta energy: -50.875
Dist. restrs. and SS energy: -163.800 (S_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: 51
Temperature: 1.300000
Total energy: -950.723853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.723853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.123853 (E_RNA)
where:
Base-Base interactions energy: -554.798
where: short stacking energy: -214.005
Base-Backbone interact. energy: -1.497
local terms energy: -255.829082
where:
bonds (distance) C4'-P energy: -54.759
bonds (distance) P-C4' energy: -69.544
flat angles C4'-P-C4' energy: -55.862
flat angles P-C4'-P energy: -30.509
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -844.780119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.780119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.980119 (E_RNA)
where:
Base-Base interactions energy: -465.601
where: short stacking energy: -180.206
Base-Backbone interact. energy: 0.986
local terms energy: -243.365272
where:
bonds (distance) C4'-P energy: -52.671
bonds (distance) P-C4' energy: -61.540
flat angles C4'-P-C4' energy: -51.842
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: -39.686
Dist. restrs. and SS energy: -136.800 (S_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: 52
Temperature: 0.900000
Total energy: -1393.121365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.121365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.321365 (E_RNA)
where:
Base-Base interactions energy: -845.637
where: short stacking energy: -344.866
Base-Backbone interact. energy: 4.208
local terms energy: -360.892746
where:
bonds (distance) C4'-P energy: -67.408
bonds (distance) P-C4' energy: -76.379
flat angles C4'-P-C4' energy: -78.986
flat angles P-C4'-P energy: -54.626
tors. eta vs tors. theta energy: -83.494
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1391.356555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.356555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.556555 (E_RNA)
where:
Base-Base interactions energy: -823.481
where: short stacking energy: -341.557
Base-Backbone interact. energy: -1.266
local terms energy: -366.809652
where:
bonds (distance) C4'-P energy: -67.778
bonds (distance) P-C4' energy: -65.775
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -54.919
tors. eta vs tors. theta energy: -93.577
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1199.783012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.783012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.983012 (E_RNA)
where:
Base-Base interactions energy: -701.891
where: short stacking energy: -285.637
Base-Backbone interact. energy: -5.212
local terms energy: -328.879991
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -73.032
flat angles C4'-P-C4' energy: -79.992
flat angles P-C4'-P energy: -46.584
tors. eta vs tors. theta energy: -77.896
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1218.754362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.754362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.154362 (E_RNA)
where:
Base-Base interactions energy: -713.333
where: short stacking energy: -303.994
Base-Backbone interact. energy: 2.305
local terms energy: -342.125804
where:
bonds (distance) C4'-P energy: -68.409
bonds (distance) P-C4' energy: -64.515
flat angles C4'-P-C4' energy: -75.035
flat angles P-C4'-P energy: -50.341
tors. eta vs tors. theta energy: -83.826
Dist. restrs. and SS energy: -165.600 (S_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: 52
Temperature: 1.100000
Total energy: -1193.420258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.420258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.420258 (E_RNA)
where:
Base-Base interactions energy: -693.455
where: short stacking energy: -284.135
Base-Backbone interact. energy: 0.286
local terms energy: -338.251117
where:
bonds (distance) C4'-P energy: -69.625
bonds (distance) P-C4' energy: -76.999
flat angles C4'-P-C4' energy: -79.682
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -71.306
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1110.838422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.838422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.038422 (E_RNA)
where:
Base-Base interactions energy: -657.162
where: short stacking energy: -278.304
Base-Backbone interact. energy: -1.975
local terms energy: -323.902044
where:
bonds (distance) C4'-P energy: -70.054
bonds (distance) P-C4' energy: -63.899
flat angles C4'-P-C4' energy: -73.878
flat angles P-C4'-P energy: -41.628
tors. eta vs tors. theta energy: -74.442
Dist. restrs. and SS energy: -127.800 (S_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: 52
Temperature: 1.200000
Total energy: -1066.702535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.702535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.102535 (E_RNA)
where:
Base-Base interactions energy: -604.492
where: short stacking energy: -225.947
Base-Backbone interact. energy: 0.897
local terms energy: -279.507025
where:
bonds (distance) C4'-P energy: -61.733
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -68.323
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -42.593
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1000.426037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.426037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.026037 (E_RNA)
where:
Base-Base interactions energy: -564.448
where: short stacking energy: -221.842
Base-Backbone interact. energy: 3.268
local terms energy: -271.846114
where:
bonds (distance) C4'-P energy: -55.557
bonds (distance) P-C4' energy: -64.699
flat angles C4'-P-C4' energy: -58.489
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -51.043
Dist. restrs. and SS energy: -167.400 (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: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -955.530158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.530158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.930158 (E_RNA)
where:
Base-Base interactions energy: -554.416
where: short stacking energy: -236.290
Base-Backbone interact. energy: -3.793
local terms energy: -258.720832
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -53.421
flat angles C4'-P-C4' energy: -59.327
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -52.657
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -829.637047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.637047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.037047 (E_RNA)
where:
Base-Base interactions energy: -457.707
where: short stacking energy: -183.702
Base-Backbone interact. energy: -0.474
local terms energy: -241.855574
where:
bonds (distance) C4'-P energy: -57.058
bonds (distance) P-C4' energy: -62.815
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: -129.600 (S_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: 53
Temperature: 0.900000
Total energy: -1382.984130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.984130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.584130 (E_RNA)
where:
Base-Base interactions energy: -834.447
where: short stacking energy: -339.470
Base-Backbone interact. energy: -0.770
local terms energy: -362.366810
where:
bonds (distance) C4'-P energy: -73.381
bonds (distance) P-C4' energy: -69.048
flat angles C4'-P-C4' energy: -81.118
flat angles P-C4'-P energy: -54.809
tors. eta vs tors. theta energy: -84.012
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1388.377546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.377546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.377546 (E_RNA)
where:
Base-Base interactions energy: -833.988
where: short stacking energy: -337.895
Base-Backbone interact. energy: -3.204
local terms energy: -353.185801
where:
bonds (distance) C4'-P energy: -57.377
bonds (distance) P-C4' energy: -64.335
flat angles C4'-P-C4' energy: -77.822
flat angles P-C4'-P energy: -61.229
tors. eta vs tors. theta energy: -92.423
Dist. restrs. and SS energy: -198.000 (S_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: 53
Temperature: 1.000000
Total energy: -1221.147427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.147427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.147427 (E_RNA)
where:
Base-Base interactions energy: -718.871
where: short stacking energy: -305.310
Base-Backbone interact. energy: -0.977
local terms energy: -339.299820
where:
bonds (distance) C4'-P energy: -69.142
bonds (distance) P-C4' energy: -64.698
flat angles C4'-P-C4' energy: -84.681
flat angles P-C4'-P energy: -45.003
tors. eta vs tors. theta energy: -75.776
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1210.793199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.793199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.993199 (E_RNA)
where:
Base-Base interactions energy: -722.663
where: short stacking energy: -281.299
Base-Backbone interact. energy: -0.053
local terms energy: -324.276865
where:
bonds (distance) C4'-P energy: -61.872
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -66.991
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -73.534
Dist. restrs. and SS energy: -163.800 (S_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: 53
Temperature: 1.100000
Total energy: -1155.660984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.660984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.660984 (E_RNA)
where:
Base-Base interactions energy: -692.683
where: short stacking energy: -267.965
Base-Backbone interact. energy: -1.568
local terms energy: -299.410237
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -61.643
flat angles C4'-P-C4' energy: -83.509
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -50.090
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1120.785478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.785478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.785478 (E_RNA)
where:
Base-Base interactions energy: -674.465
where: short stacking energy: -296.051
Base-Backbone interact. energy: -1.546
local terms energy: -318.774710
where:
bonds (distance) C4'-P energy: -54.571
bonds (distance) P-C4' energy: -64.008
flat angles C4'-P-C4' energy: -75.181
flat angles P-C4'-P energy: -51.932
tors. eta vs tors. theta energy: -73.084
Dist. restrs. and SS energy: -126.000 (S_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: 53
Temperature: 1.200000
Total energy: -1073.076861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.076861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.476861 (E_RNA)
where:
Base-Base interactions energy: -612.624
where: short stacking energy: -236.132
Base-Backbone interact. energy: 1.739
local terms energy: -278.591445
where:
bonds (distance) C4'-P energy: -64.107
bonds (distance) P-C4' energy: -74.598
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: -41.789
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -981.268918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.268918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.468918 (E_RNA)
where:
Base-Base interactions energy: -567.365
where: short stacking energy: -236.420
Base-Backbone interact. energy: -2.413
local terms energy: -265.691500
where:
bonds (distance) C4'-P energy: -53.056
bonds (distance) P-C4' energy: -66.924
flat angles C4'-P-C4' energy: -59.319
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: -51.323
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -980.604787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.604787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.004787 (E_RNA)
where:
Base-Base interactions energy: -530.640
where: short stacking energy: -223.467
Base-Backbone interact. energy: 0.669
local terms energy: -276.033510
where:
bonds (distance) C4'-P energy: -54.455
bonds (distance) P-C4' energy: -62.812
flat angles C4'-P-C4' energy: -59.161
flat angles P-C4'-P energy: -46.934
tors. eta vs tors. theta energy: -52.671
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -853.078067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.078067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.678067 (E_RNA)
where:
Base-Base interactions energy: -459.897
where: short stacking energy: -187.421
Base-Backbone interact. energy: -1.387
local terms energy: -242.393884
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -58.582
flat angles C4'-P-C4' energy: -73.140
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -35.531
Dist. restrs. and SS energy: -149.400 (S_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: 54
Temperature: 0.900000
Total energy: -1360.430205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.430205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.230205 (E_RNA)
where:
Base-Base interactions energy: -817.203
where: short stacking energy: -326.609
Base-Backbone interact. energy: -1.160
local terms energy: -354.866814
where:
bonds (distance) C4'-P energy: -63.316
bonds (distance) P-C4' energy: -74.366
flat angles C4'-P-C4' energy: -83.327
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: -84.265
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1389.680088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.680088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.080088 (E_RNA)
where:
Base-Base interactions energy: -802.701
where: short stacking energy: -331.113
Base-Backbone interact. energy: 0.508
local terms energy: -385.887155
where:
bonds (distance) C4'-P energy: -78.165
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -83.296
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: -88.477
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1249.049438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.049438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.049438 (E_RNA)
where:
Base-Base interactions energy: -768.088
where: short stacking energy: -281.756
Base-Backbone interact. energy: 0.389
local terms energy: -319.350106
where:
bonds (distance) C4'-P energy: -66.904
bonds (distance) P-C4' energy: -70.119
flat angles C4'-P-C4' energy: -65.079
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -78.490
Dist. restrs. and SS energy: -162.000 (S_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: 54
Temperature: 1.050000
Total energy: -1231.777875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.777875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.577875 (E_RNA)
where:
Base-Base interactions energy: -723.467
where: short stacking energy: -313.868
Base-Backbone interact. energy: 1.747
local terms energy: -331.857715
where:
bonds (distance) C4'-P energy: -66.818
bonds (distance) P-C4' energy: -61.202
flat angles C4'-P-C4' energy: -79.904
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -82.833
Dist. restrs. and SS energy: -178.200 (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: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1126.502914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.502914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.502914 (E_RNA)
where:
Base-Base interactions energy: -665.823
where: short stacking energy: -285.563
Base-Backbone interact. energy: -2.269
local terms energy: -332.411016
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -75.423
flat angles C4'-P-C4' energy: -70.274
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -75.111
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1129.163434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.163434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.763434 (E_RNA)
where:
Base-Base interactions energy: -651.994
where: short stacking energy: -286.261
Base-Backbone interact. energy: -1.457
local terms energy: -317.312762
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -68.183
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -55.293
tors. eta vs tors. theta energy: -71.366
Dist. restrs. and SS energy: -158.400 (S_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: 54
Temperature: 1.200000
Total energy: -1109.337851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.337851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.537851 (E_RNA)
where:
Base-Base interactions energy: -636.373
where: short stacking energy: -251.211
Base-Backbone interact. energy: -0.138
local terms energy: -282.026912
where:
bonds (distance) C4'-P energy: -55.507
bonds (distance) P-C4' energy: -74.991
flat angles C4'-P-C4' energy: -61.983
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -53.274
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -988.918720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.918720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.918720 (E_RNA)
where:
Base-Base interactions energy: -587.019
where: short stacking energy: -239.499
Base-Backbone interact. energy: -1.574
local terms energy: -256.326101
where:
bonds (distance) C4'-P energy: -50.790
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -68.520
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -55.335
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -952.642446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.642446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.442446 (E_RNA)
where:
Base-Base interactions energy: -518.832
where: short stacking energy: -230.765
Base-Backbone interact. energy: -1.097
local terms energy: -263.513282
where:
bonds (distance) C4'-P energy: -51.734
bonds (distance) P-C4' energy: -64.606
flat angles C4'-P-C4' energy: -59.708
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -889.219184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.219184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.419184 (E_RNA)
where:
Base-Base interactions energy: -486.722
where: short stacking energy: -189.853
Base-Backbone interact. energy: -0.235
local terms energy: -247.462144
where:
bonds (distance) C4'-P energy: -60.750
bonds (distance) P-C4' energy: -53.129
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -39.146
Dist. restrs. and SS energy: -154.800 (S_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: 55
Temperature: 0.900000
Total energy: -1383.638383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.638383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.838383 (E_RNA)
where:
Base-Base interactions energy: -819.783
where: short stacking energy: -323.503
Base-Backbone interact. energy: 1.511
local terms energy: -374.565667
where:
bonds (distance) C4'-P energy: -74.904
bonds (distance) P-C4' energy: -78.569
flat angles C4'-P-C4' energy: -83.896
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -87.360
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1374.935995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.935995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.935995 (E_RNA)
where:
Base-Base interactions energy: -815.252
where: short stacking energy: -338.639
Base-Backbone interact. energy: -4.674
local terms energy: -357.010660
where:
bonds (distance) C4'-P energy: -66.932
bonds (distance) P-C4' energy: -75.699
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -50.643
tors. eta vs tors. theta energy: -91.581
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1262.901675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.901675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.301675 (E_RNA)
where:
Base-Base interactions energy: -750.599
where: short stacking energy: -303.962
Base-Backbone interact. energy: 2.693
local terms energy: -349.395575
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -69.496
flat angles C4'-P-C4' energy: -79.871
flat angles P-C4'-P energy: -51.512
tors. eta vs tors. theta energy: -73.710
Dist. restrs. and SS energy: -165.600 (S_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: 55
Temperature: 1.050000
Total energy: -1238.960044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.960044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.760044 (E_RNA)
where:
Base-Base interactions energy: -715.518
where: short stacking energy: -295.273
Base-Backbone interact. energy: -1.676
local terms energy: -334.566810
where:
bonds (distance) C4'-P energy: -55.711
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -46.923
tors. eta vs tors. theta energy: -83.003
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1177.229673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.229673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.629673 (E_RNA)
where:
Base-Base interactions energy: -714.377
where: short stacking energy: -312.953
Base-Backbone interact. energy: -2.201
local terms energy: -331.051742
where:
bonds (distance) C4'-P energy: -65.014
bonds (distance) P-C4' energy: -58.636
flat angles C4'-P-C4' energy: -77.463
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -87.535
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1191.440565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.440565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.640565 (E_RNA)
where:
Base-Base interactions energy: -706.353
where: short stacking energy: -279.533
Base-Backbone interact. energy: -0.812
local terms energy: -320.476390
where:
bonds (distance) C4'-P energy: -63.817
bonds (distance) P-C4' energy: -68.820
flat angles C4'-P-C4' energy: -68.268
flat angles P-C4'-P energy: -53.245
tors. eta vs tors. theta energy: -66.327
Dist. restrs. and SS energy: -163.800 (S_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: 55
Temperature: 1.200000
Total energy: -1086.643938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.643938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.843938 (E_RNA)
where:
Base-Base interactions energy: -612.802
where: short stacking energy: -234.549
Base-Backbone interact. energy: 0.202
local terms energy: -274.244439
where:
bonds (distance) C4'-P energy: -46.315
bonds (distance) P-C4' energy: -62.546
flat angles C4'-P-C4' energy: -67.434
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -50.079
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -998.152457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.152457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.352457 (E_RNA)
where:
Base-Base interactions energy: -529.666
where: short stacking energy: -226.116
Base-Backbone interact. energy: -0.422
local terms energy: -304.264662
where:
bonds (distance) C4'-P energy: -65.337
bonds (distance) P-C4' energy: -66.516
flat angles C4'-P-C4' energy: -67.457
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -60.843
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -946.782268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.782268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.782268 (E_RNA)
where:
Base-Base interactions energy: -532.208
where: short stacking energy: -217.078
Base-Backbone interact. energy: -0.532
local terms energy: -270.041842
where:
bonds (distance) C4'-P energy: -59.635
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -71.321
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -48.691
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -885.688921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.688921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.888921 (E_RNA)
where:
Base-Base interactions energy: -476.599
where: short stacking energy: -198.917
Base-Backbone interact. energy: -0.072
local terms energy: -254.218406
where:
bonds (distance) C4'-P energy: -57.384
bonds (distance) P-C4' energy: -69.956
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -42.690
Dist. restrs. and SS energy: -154.800 (S_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: 56
Temperature: 0.900000
Total energy: -1375.509088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.509088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.909088 (E_RNA)
where:
Base-Base interactions energy: -823.891
where: short stacking energy: -342.764
Base-Backbone interact. energy: -1.229
local terms energy: -348.788397
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -76.088
flat angles C4'-P-C4' energy: -71.562
flat angles P-C4'-P energy: -46.768
tors. eta vs tors. theta energy: -84.015
Dist. restrs. and SS energy: -201.600 (S_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: 56
Temperature: 0.950000
Total energy: -1346.386713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.386713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.386713 (E_RNA)
where:
Base-Base interactions energy: -817.188
where: short stacking energy: -323.699
Base-Backbone interact. energy: -2.216
local terms energy: -337.983436
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -67.948
flat angles C4'-P-C4' energy: -73.590
flat angles P-C4'-P energy: -53.423
tors. eta vs tors. theta energy: -73.879
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1290.081337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.081337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.281337 (E_RNA)
where:
Base-Base interactions energy: -776.811
where: short stacking energy: -302.360
Base-Backbone interact. energy: -1.089
local terms energy: -348.381344
where:
bonds (distance) C4'-P energy: -70.595
bonds (distance) P-C4' energy: -71.999
flat angles C4'-P-C4' energy: -71.496
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: -81.413
Dist. restrs. and SS energy: -163.800 (S_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: 56
Temperature: 1.050000
Total energy: -1239.532982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.532982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.932982 (E_RNA)
where:
Base-Base interactions energy: -716.864
where: short stacking energy: -269.730
Base-Backbone interact. energy: -3.197
local terms energy: -335.871404
where:
bonds (distance) C4'-P energy: -70.182
bonds (distance) P-C4' energy: -74.354
flat angles C4'-P-C4' energy: -68.757
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -76.207
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1139.156335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.156335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.956335 (E_RNA)
where:
Base-Base interactions energy: -677.070
where: short stacking energy: -295.201
Base-Backbone interact. energy: -1.770
local terms energy: -345.117026
where:
bonds (distance) C4'-P energy: -69.179
bonds (distance) P-C4' energy: -65.280
flat angles C4'-P-C4' energy: -79.376
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -79.434
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1155.931804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.931804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.931804 (E_RNA)
where:
Base-Base interactions energy: -671.469
where: short stacking energy: -300.961
Base-Backbone interact. energy: 2.102
local terms energy: -324.565345
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -68.914
flat angles C4'-P-C4' energy: -75.953
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -75.851
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1047.644178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.644178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.844178 (E_RNA)
where:
Base-Base interactions energy: -611.631
where: short stacking energy: -272.491
Base-Backbone interact. energy: 0.845
local terms energy: -282.057733
where:
bonds (distance) C4'-P energy: -56.818
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -74.139
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -57.819
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1105.198521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.198521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.398521 (E_RNA)
where:
Base-Base interactions energy: -635.654
where: short stacking energy: -237.775
Base-Backbone interact. energy: -1.142
local terms energy: -268.603046
where:
bonds (distance) C4'-P energy: -53.258
bonds (distance) P-C4' energy: -68.267
flat angles C4'-P-C4' energy: -62.009
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -50.098
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -941.729384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.729384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.729384 (E_RNA)
where:
Base-Base interactions energy: -530.607
where: short stacking energy: -209.761
Base-Backbone interact. energy: 2.653
local terms energy: -269.774884
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -65.138
flat angles P-C4'-P energy: -43.670
tors. eta vs tors. theta energy: -48.104
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -883.884051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.884051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.484051 (E_RNA)
where:
Base-Base interactions energy: -498.698
where: short stacking energy: -199.125
Base-Backbone interact. energy: 2.349
local terms energy: -229.134687
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -57.077
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -35.902
tors. eta vs tors. theta energy: -34.979
Dist. restrs. and SS energy: -158.400 (S_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: 57
Temperature: 0.900000
Total energy: -1393.453982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.453982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.053982 (E_RNA)
where:
Base-Base interactions energy: -823.330
where: short stacking energy: -339.881
Base-Backbone interact. energy: -2.778
local terms energy: -363.945901
where:
bonds (distance) C4'-P energy: -72.556
bonds (distance) P-C4' energy: -64.968
flat angles C4'-P-C4' energy: -80.933
flat angles P-C4'-P energy: -56.403
tors. eta vs tors. theta energy: -89.085
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1348.920921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.920921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.920921 (E_RNA)
where:
Base-Base interactions energy: -810.634
where: short stacking energy: -326.436
Base-Backbone interact. energy: 0.272
local terms energy: -349.559334
where:
bonds (distance) C4'-P energy: -74.205
bonds (distance) P-C4' energy: -68.241
flat angles C4'-P-C4' energy: -77.459
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -74.351
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1280.136313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.136313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.736313 (E_RNA)
where:
Base-Base interactions energy: -775.142
where: short stacking energy: -297.502
Base-Backbone interact. energy: -1.658
local terms energy: -335.935838
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -70.553
flat angles C4'-P-C4' energy: -74.209
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -77.690
Dist. restrs. and SS energy: -167.400 (S_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: -1255.792227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.792227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.192227 (E_RNA)
where:
Base-Base interactions energy: -708.582
where: short stacking energy: -294.925
Base-Backbone interact. energy: -1.037
local terms energy: -362.573874
where:
bonds (distance) C4'-P energy: -74.077
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -91.242
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1155.646785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.646785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.646785 (E_RNA)
where:
Base-Base interactions energy: -681.850
where: short stacking energy: -295.432
Base-Backbone interact. energy: -2.906
local terms energy: -344.890680
where:
bonds (distance) C4'-P energy: -63.594
bonds (distance) P-C4' energy: -68.857
flat angles C4'-P-C4' energy: -76.365
flat angles P-C4'-P energy: -53.902
tors. eta vs tors. theta energy: -82.172
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1145.338999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.338999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.338999 (E_RNA)
where:
Base-Base interactions energy: -671.273
where: short stacking energy: -292.219
Base-Backbone interact. energy: 0.496
local terms energy: -312.561677
where:
bonds (distance) C4'-P energy: -51.947
bonds (distance) P-C4' energy: -61.147
flat angles C4'-P-C4' energy: -75.035
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: -77.202
Dist. restrs. and SS energy: -162.000 (S_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: 57
Temperature: 1.200000
Total energy: -1051.680692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.680692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.880692 (E_RNA)
where:
Base-Base interactions energy: -585.879
where: short stacking energy: -237.670
Base-Backbone interact. energy: 2.334
local terms energy: -295.335309
where:
bonds (distance) C4'-P energy: -54.911
bonds (distance) P-C4' energy: -71.906
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -52.636
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1116.088175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.088175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.888175 (E_RNA)
where:
Base-Base interactions energy: -638.594
where: short stacking energy: -268.352
Base-Backbone interact. energy: 6.234
local terms energy: -287.528370
where:
bonds (distance) C4'-P energy: -68.571
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -65.485
Dist. restrs. and SS energy: -196.200 (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: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -928.223370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.223370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.623370 (E_RNA)
where:
Base-Base interactions energy: -520.572
where: short stacking energy: -214.392
Base-Backbone interact. energy: -1.255
local terms energy: -258.796957
where:
bonds (distance) C4'-P energy: -58.966
bonds (distance) P-C4' energy: -50.318
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -49.994
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -893.205181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.205181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.005181 (E_RNA)
where:
Base-Base interactions energy: -493.324
where: short stacking energy: -189.450
Base-Backbone interact. energy: -1.021
local terms energy: -247.660111
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -74.472
flat angles C4'-P-C4' energy: -42.244
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -31.693
Dist. restrs. and SS energy: -151.200 (S_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: 58
Temperature: 0.900000
Total energy: -1399.161970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.161970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.361970 (E_RNA)
where:
Base-Base interactions energy: -826.428
where: short stacking energy: -344.180
Base-Backbone interact. energy: -2.356
local terms energy: -370.577786
where:
bonds (distance) C4'-P energy: -69.918
bonds (distance) P-C4' energy: -74.556
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -55.961
tors. eta vs tors. theta energy: -91.724
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1325.312443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.312443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.112443 (E_RNA)
where:
Base-Base interactions energy: -782.827
where: short stacking energy: -320.243
Base-Backbone interact. energy: 0.910
local terms energy: -356.195327
where:
bonds (distance) C4'-P energy: -73.080
bonds (distance) P-C4' energy: -77.720
flat angles C4'-P-C4' energy: -73.983
flat angles P-C4'-P energy: -51.977
tors. eta vs tors. theta energy: -79.435
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1282.275373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.275373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.275373 (E_RNA)
where:
Base-Base interactions energy: -785.046
where: short stacking energy: -311.117
Base-Backbone interact. energy: 3.051
local terms energy: -338.281152
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -66.065
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: -162.000 (S_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: 58
Temperature: 1.050000
Total energy: -1291.621026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.621026 (E_RNA)
where:
Base-Base interactions energy: -753.465
where: short stacking energy: -300.900
Base-Backbone interact. energy: 0.447
local terms energy: -358.602886
where:
bonds (distance) C4'-P energy: -65.961
bonds (distance) P-C4' energy: -72.967
flat angles C4'-P-C4' energy: -83.406
flat angles P-C4'-P energy: -48.757
tors. eta vs tors. theta energy: -87.513
Dist. restrs. and SS energy: -180.000 (S_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: 58
Temperature: 1.100000
Total energy: -1172.128147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.128147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.528147 (E_RNA)
where:
Base-Base interactions energy: -668.290
where: short stacking energy: -291.776
Base-Backbone interact. energy: -2.144
local terms energy: -327.094118
where:
bonds (distance) C4'-P energy: -63.456
bonds (distance) P-C4' energy: -69.897
flat angles C4'-P-C4' energy: -73.468
flat angles P-C4'-P energy: -52.127
tors. eta vs tors. theta energy: -68.147
Dist. restrs. and SS energy: -174.600 (S_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: 58
Temperature: 1.150000
Total energy: -1132.775446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.775446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.975446 (E_RNA)
where:
Base-Base interactions energy: -681.547
where: short stacking energy: -293.377
Base-Backbone interact. energy: -0.627
local terms energy: -322.801882
where:
bonds (distance) C4'-P energy: -72.486
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -69.696
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -76.712
Dist. restrs. and SS energy: -127.800 (S_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: 58
Temperature: 1.200000
Total energy: -1118.891790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.891790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.091790 (E_RNA)
where:
Base-Base interactions energy: -629.760
where: short stacking energy: -249.958
Base-Backbone interact. energy: 0.401
local terms energy: -298.732239
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -62.890
flat angles C4'-P-C4' energy: -65.615
flat angles P-C4'-P energy: -37.520
tors. eta vs tors. theta energy: -54.016
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1035.133245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.133245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.933245 (E_RNA)
where:
Base-Base interactions energy: -583.889
where: short stacking energy: -240.032
Base-Backbone interact. energy: 0.285
local terms energy: -282.330006
where:
bonds (distance) C4'-P energy: -61.688
bonds (distance) P-C4' energy: -63.510
flat angles C4'-P-C4' energy: -69.786
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -46.068
Dist. restrs. and SS energy: -169.200 (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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -961.961975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.961975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.161975 (E_RNA)
where:
Base-Base interactions energy: -540.525
where: short stacking energy: -198.958
Base-Backbone interact. energy: -2.118
local terms energy: -264.519102
where:
bonds (distance) C4'-P energy: -60.116
bonds (distance) P-C4' energy: -65.619
flat angles C4'-P-C4' energy: -55.124
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -40.640
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -897.729911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.729911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.929911 (E_RNA)
where:
Base-Base interactions energy: -485.090
where: short stacking energy: -196.102
Base-Backbone interact. energy: -1.820
local terms energy: -247.020692
where:
bonds (distance) C4'-P energy: -54.553
bonds (distance) P-C4' energy: -67.702
flat angles C4'-P-C4' energy: -60.233
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -35.182
Dist. restrs. and SS energy: -163.800 (S_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: 59
Temperature: 0.900000
Total energy: -1417.648331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.648331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.048331 (E_RNA)
where:
Base-Base interactions energy: -854.198
where: short stacking energy: -357.744
Base-Backbone interact. energy: -1.545
local terms energy: -360.305244
where:
bonds (distance) C4'-P energy: -63.677
bonds (distance) P-C4' energy: -70.616
flat angles C4'-P-C4' energy: -81.867
flat angles P-C4'-P energy: -48.489
tors. eta vs tors. theta energy: -95.657
Dist. restrs. and SS energy: -201.600 (S_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: 59
Temperature: 0.950000
Total energy: -1332.229843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.229843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.029843 (E_RNA)
where:
Base-Base interactions energy: -802.979
where: short stacking energy: -316.395
Base-Backbone interact. energy: 0.434
local terms energy: -342.484161
where:
bonds (distance) C4'-P energy: -70.580
bonds (distance) P-C4' energy: -72.923
flat angles C4'-P-C4' energy: -74.648
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: -78.022
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1275.549011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.549011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.349011 (E_RNA)
where:
Base-Base interactions energy: -787.606
where: short stacking energy: -299.318
Base-Backbone interact. energy: 0.423
local terms energy: -328.166444
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -70.805
flat angles C4'-P-C4' energy: -72.624
flat angles P-C4'-P energy: -57.689
tors. eta vs tors. theta energy: -70.612
Dist. restrs. and SS energy: -160.200 (S_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: 59
Temperature: 1.050000
Total energy: -1289.629362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.629362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.229362 (E_RNA)
where:
Base-Base interactions energy: -747.035
where: short stacking energy: -347.222
Base-Backbone interact. energy: 0.784
local terms energy: -357.978195
where:
bonds (distance) C4'-P energy: -62.892
bonds (distance) P-C4' energy: -72.142
flat angles C4'-P-C4' energy: -72.074
flat angles P-C4'-P energy: -55.412
tors. eta vs tors. theta energy: -95.458
Dist. restrs. and SS energy: -185.400 (S_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: 59
Temperature: 1.100000
Total energy: -1202.749977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.749977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.149977 (E_RNA)
where:
Base-Base interactions energy: -690.303
where: short stacking energy: -291.096
Base-Backbone interact. energy: -2.642
local terms energy: -326.205398
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -73.172
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -69.783
Dist. restrs. and SS energy: -183.600 (S_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: 59
Temperature: 1.150000
Total energy: -1193.994067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.994067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.594067 (E_RNA)
where:
Base-Base interactions energy: -663.517
where: short stacking energy: -272.201
Base-Backbone interact. energy: -1.460
local terms energy: -325.616935
where:
bonds (distance) C4'-P energy: -69.236
bonds (distance) P-C4' energy: -75.991
flat angles C4'-P-C4' energy: -66.544
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: -73.104
Dist. restrs. and SS energy: -203.400 (S_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: 59
Temperature: 1.200000
Total energy: -1101.491282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.491282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.891282 (E_RNA)
where:
Base-Base interactions energy: -656.041
where: short stacking energy: -273.150
Base-Backbone interact. energy: 1.023
local terms energy: -316.872999
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -60.473
flat angles C4'-P-C4' energy: -66.048
flat angles P-C4'-P energy: -48.594
tors. eta vs tors. theta energy: -79.623
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1041.023454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.023454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.823454 (E_RNA)
where:
Base-Base interactions energy: -600.868
where: short stacking energy: -266.920
Base-Backbone interact. energy: -1.156
local terms energy: -278.798635
where:
bonds (distance) C4'-P energy: -50.200
bonds (distance) P-C4' energy: -66.054
flat angles C4'-P-C4' energy: -60.297
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -55.212
Dist. restrs. and SS energy: -160.200 (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: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1037.202341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.202341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.002341 (E_RNA)
where:
Base-Base interactions energy: -584.064
where: short stacking energy: -227.381
Base-Backbone interact. energy: -2.606
local terms energy: -254.332882
where:
bonds (distance) C4'-P energy: -45.679
bonds (distance) P-C4' energy: -57.044
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -52.793
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -902.705195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.705195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.705195 (E_RNA)
where:
Base-Base interactions energy: -504.246
where: short stacking energy: -206.299
Base-Backbone interact. energy: -1.316
local terms energy: -235.143197
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -56.795
flat angles C4'-P-C4' energy: -56.615
flat angles P-C4'-P energy: -42.227
tors. eta vs tors. theta energy: -32.351
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1422.217272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.217272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.617272 (E_RNA)
where:
Base-Base interactions energy: -857.373
where: short stacking energy: -347.914
Base-Backbone interact. energy: -1.097
local terms energy: -362.146617
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -72.526
flat angles C4'-P-C4' energy: -85.207
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -96.560
Dist. restrs. and SS energy: -201.600 (S_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: 60
Temperature: 0.950000
Total energy: -1347.488081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.488081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.888081 (E_RNA)
where:
Base-Base interactions energy: -799.134
where: short stacking energy: -320.960
Base-Backbone interact. energy: 2.200
local terms energy: -357.954282
where:
bonds (distance) C4'-P energy: -70.601
bonds (distance) P-C4' energy: -74.955
flat angles C4'-P-C4' energy: -76.305
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: -78.207
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1292.432652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.432652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.832652 (E_RNA)
where:
Base-Base interactions energy: -800.912
where: short stacking energy: -304.241
Base-Backbone interact. energy: -0.452
local terms energy: -325.468657
where:
bonds (distance) C4'-P energy: -68.466
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -50.748
tors. eta vs tors. theta energy: -73.555
Dist. restrs. and SS energy: -165.600 (S_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: -1296.737734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.737734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.337734 (E_RNA)
where:
Base-Base interactions energy: -766.697
where: short stacking energy: -315.669
Base-Backbone interact. energy: -0.533
local terms energy: -344.107572
where:
bonds (distance) C4'-P energy: -61.039
bonds (distance) P-C4' energy: -68.212
flat angles C4'-P-C4' energy: -70.395
flat angles P-C4'-P energy: -53.210
tors. eta vs tors. theta energy: -91.251
Dist. restrs. and SS energy: -185.400 (S_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: 60
Temperature: 1.100000
Total energy: -1255.318616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.318616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.718616 (E_RNA)
where:
Base-Base interactions energy: -723.311
where: short stacking energy: -297.369
Base-Backbone interact. energy: -2.699
local terms energy: -327.708633
where:
bonds (distance) C4'-P energy: -68.870
bonds (distance) P-C4' energy: -66.655
flat angles C4'-P-C4' energy: -68.941
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -77.664
Dist. restrs. and SS energy: -201.600 (S_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: 60
Temperature: 1.150000
Total energy: -1231.154760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.154760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.354760 (E_RNA)
where:
Base-Base interactions energy: -721.585
where: short stacking energy: -276.455
Base-Backbone interact. energy: 0.296
local terms energy: -310.065435
where:
bonds (distance) C4'-P energy: -61.742
bonds (distance) P-C4' energy: -58.834
flat angles C4'-P-C4' energy: -66.179
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: -73.652
Dist. restrs. and SS energy: -199.800 (S_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: 60
Temperature: 1.200000
Total energy: -1110.390592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.390592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.990592 (E_RNA)
where:
Base-Base interactions energy: -637.009
where: short stacking energy: -273.909
Base-Backbone interact. energy: -0.647
local terms energy: -305.334971
where:
bonds (distance) C4'-P energy: -69.182
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -62.638
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -67.439
Dist. restrs. and SS energy: -167.400 (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: 60
Temperature: 1.250000
Total energy: -1083.397304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.397304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.597304 (E_RNA)
where:
Base-Base interactions energy: -682.766
where: short stacking energy: -270.234
Base-Backbone interact. energy: -1.435
local terms energy: -280.396578
where:
bonds (distance) C4'-P energy: -50.979
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -72.222
flat angles P-C4'-P energy: -46.655
tors. eta vs tors. theta energy: -62.505
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1021.453804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.453804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.253804 (E_RNA)
where:
Base-Base interactions energy: -565.035
where: short stacking energy: -238.159
Base-Backbone interact. energy: -0.845
local terms energy: -259.374349
where:
bonds (distance) C4'-P energy: -60.334
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -67.234
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -56.620
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -901.441259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.441259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.041259 (E_RNA)
where:
Base-Base interactions energy: -492.708
where: short stacking energy: -211.194
Base-Backbone interact. energy: 0.512
local terms energy: -259.845246
where:
bonds (distance) C4'-P energy: -53.431
bonds (distance) P-C4' energy: -65.975
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -44.144
tors. eta vs tors. theta energy: -40.122
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1394.306633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.306633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.906633 (E_RNA)
where:
Base-Base interactions energy: -819.458
where: short stacking energy: -353.509
Base-Backbone interact. energy: 3.381
local terms energy: -374.830082
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -72.808
flat angles C4'-P-C4' energy: -79.712
flat angles P-C4'-P energy: -56.901
tors. eta vs tors. theta energy: -97.327
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1354.350610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.350610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.350610 (E_RNA)
where:
Base-Base interactions energy: -801.790
where: short stacking energy: -327.596
Base-Backbone interact. energy: 5.268
local terms energy: -368.829505
where:
bonds (distance) C4'-P energy: -77.126
bonds (distance) P-C4' energy: -76.471
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -67.152
tors. eta vs tors. theta energy: -77.134
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1301.379394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.379394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.779394 (E_RNA)
where:
Base-Base interactions energy: -788.219
where: short stacking energy: -311.293
Base-Backbone interact. energy: -2.412
local terms energy: -345.148619
where:
bonds (distance) C4'-P energy: -64.746
bonds (distance) P-C4' energy: -75.094
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -53.691
tors. eta vs tors. theta energy: -79.035
Dist. restrs. and SS energy: -165.600 (S_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: 61
Temperature: 1.050000
Total energy: -1272.378149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.378149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.578149 (E_RNA)
where:
Base-Base interactions energy: -727.784
where: short stacking energy: -306.023
Base-Backbone interact. energy: -1.730
local terms energy: -343.064059
where:
bonds (distance) C4'-P energy: -65.710
bonds (distance) P-C4' energy: -68.310
flat angles C4'-P-C4' energy: -78.907
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: -82.207
Dist. restrs. and SS energy: -199.800 (S_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: -1237.109430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.109430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.709430 (E_RNA)
where:
Base-Base interactions energy: -737.860
where: short stacking energy: -300.399
Base-Backbone interact. energy: -1.203
local terms energy: -312.646267
where:
bonds (distance) C4'-P energy: -65.571
bonds (distance) P-C4' energy: -66.757
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -75.584
Dist. restrs. and SS energy: -185.400 (S_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: 61
Temperature: 1.150000
Total energy: -1202.238631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.238631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.838631 (E_RNA)
where:
Base-Base interactions energy: -697.063
where: short stacking energy: -290.012
Base-Backbone interact. energy: -0.870
local terms energy: -309.905604
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -63.584
flat angles C4'-P-C4' energy: -74.374
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: -65.220
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1106.069633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.069633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.069633 (E_RNA)
where:
Base-Base interactions energy: -640.209
where: short stacking energy: -268.478
Base-Backbone interact. energy: -2.480
local terms energy: -301.380420
where:
bonds (distance) C4'-P energy: -58.691
bonds (distance) P-C4' energy: -68.589
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -39.742
tors. eta vs tors. theta energy: -71.370
Dist. restrs. and SS energy: -162.000 (S_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: 61
Temperature: 1.250000
Total energy: -1061.783350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.783350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.983350 (E_RNA)
where:
Base-Base interactions energy: -627.389
where: short stacking energy: -263.665
Base-Backbone interact. energy: -2.347
local terms energy: -304.247211
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -69.910
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -40.241
tors. eta vs tors. theta energy: -68.254
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1054.345050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.345050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.345050 (E_RNA)
where:
Base-Base interactions energy: -595.110
where: short stacking energy: -237.930
Base-Backbone interact. energy: -1.631
local terms energy: -259.604432
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -918.733024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.733024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.733024 (E_RNA)
where:
Base-Base interactions energy: -508.149
where: short stacking energy: -211.739
Base-Backbone interact. energy: -0.932
local terms energy: -256.651474
where:
bonds (distance) C4'-P energy: -60.788
bonds (distance) P-C4' energy: -56.599
flat angles C4'-P-C4' energy: -56.145
flat angles P-C4'-P energy: -40.289
tors. eta vs tors. theta energy: -42.830
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1391.824360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.824360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.824360 (E_RNA)
where:
Base-Base interactions energy: -814.639
where: short stacking energy: -339.335
Base-Backbone interact. energy: -0.231
local terms energy: -378.954564
where:
bonds (distance) C4'-P energy: -69.062
bonds (distance) P-C4' energy: -74.878
flat angles C4'-P-C4' energy: -81.782
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -98.013
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1323.614247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.614247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.814247 (E_RNA)
where:
Base-Base interactions energy: -775.400
where: short stacking energy: -316.012
Base-Backbone interact. energy: 0.285
local terms energy: -357.700098
where:
bonds (distance) C4'-P energy: -68.467
bonds (distance) P-C4' energy: -77.003
flat angles C4'-P-C4' energy: -75.070
flat angles P-C4'-P energy: -58.749
tors. eta vs tors. theta energy: -78.410
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1280.806082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.806082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.006082 (E_RNA)
where:
Base-Base interactions energy: -733.892
where: short stacking energy: -322.665
Base-Backbone interact. energy: -0.100
local terms energy: -347.013986
where:
bonds (distance) C4'-P energy: -54.954
bonds (distance) P-C4' energy: -70.739
flat angles C4'-P-C4' energy: -77.537
flat angles P-C4'-P energy: -59.529
tors. eta vs tors. theta energy: -84.254
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1278.573966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.573966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.573966 (E_RNA)
where:
Base-Base interactions energy: -780.734
where: short stacking energy: -303.297
Base-Backbone interact. energy: 1.089
local terms energy: -336.929036
where:
bonds (distance) C4'-P energy: -63.078
bonds (distance) P-C4' energy: -80.874
flat angles C4'-P-C4' energy: -73.581
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -73.270
Dist. restrs. and SS energy: -162.000 (S_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: 62
Temperature: 1.100000
Total energy: -1252.542005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.542005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.342005 (E_RNA)
where:
Base-Base interactions energy: -728.963
where: short stacking energy: -311.809
Base-Backbone interact. energy: -0.874
local terms energy: -335.504975
where:
bonds (distance) C4'-P energy: -60.068
bonds (distance) P-C4' energy: -73.104
flat angles C4'-P-C4' energy: -74.706
flat angles P-C4'-P energy: -49.645
tors. eta vs tors. theta energy: -77.983
Dist. restrs. and SS energy: -187.200 (S_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: 62
Temperature: 1.150000
Total energy: -1234.730713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.730713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.330713 (E_RNA)
where:
Base-Base interactions energy: -724.554
where: short stacking energy: -282.443
Base-Backbone interact. energy: 0.129
local terms energy: -315.904972
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -62.133
flat angles C4'-P-C4' energy: -66.438
flat angles P-C4'-P energy: -40.499
tors. eta vs tors. theta energy: -80.230
Dist. restrs. and SS energy: -194.400 (S_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: -1081.073446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.073446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.073446 (E_RNA)
where:
Base-Base interactions energy: -602.623
where: short stacking energy: -246.976
Base-Backbone interact. energy: -0.655
local terms energy: -306.795454
where:
bonds (distance) C4'-P energy: -65.108
bonds (distance) P-C4' energy: -57.979
flat angles C4'-P-C4' energy: -77.155
flat angles P-C4'-P energy: -45.811
tors. eta vs tors. theta energy: -60.743
Dist. restrs. and SS energy: -171.000 (S_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: -1001.754363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.754363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.154363 (E_RNA)
where:
Base-Base interactions energy: -579.397
where: short stacking energy: -248.468
Base-Backbone interact. energy: -1.598
local terms energy: -291.159749
where:
bonds (distance) C4'-P energy: -60.659
bonds (distance) P-C4' energy: -57.701
flat angles C4'-P-C4' energy: -63.048
flat angles P-C4'-P energy: -43.185
tors. eta vs tors. theta energy: -66.567
Dist. restrs. and SS energy: -129.600 (S_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: 62
Temperature: 1.300000
Total energy: -1069.930031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.930031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.930031 (E_RNA)
where:
Base-Base interactions energy: -590.995
where: short stacking energy: -239.738
Base-Backbone interact. energy: -3.295
local terms energy: -268.640244
where:
bonds (distance) C4'-P energy: -60.391
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -41.465
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -860.166402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.166402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.566402 (E_RNA)
where:
Base-Base interactions energy: -459.974
where: short stacking energy: -199.358
Base-Backbone interact. energy: 0.590
local terms energy: -253.182084
where:
bonds (distance) C4'-P energy: -61.096
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -56.292
flat angles P-C4'-P energy: -42.061
tors. eta vs tors. theta energy: -35.422
Dist. restrs. and SS energy: -147.600 (S_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: 63
Temperature: 0.900000
Total energy: -1396.991206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.991206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.991206 (E_RNA)
where:
Base-Base interactions energy: -819.046
where: short stacking energy: -353.426
Base-Backbone interact. energy: -1.153
local terms energy: -378.792210
where:
bonds (distance) C4'-P energy: -72.761
bonds (distance) P-C4' energy: -77.220
flat angles C4'-P-C4' energy: -78.209
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -98.447
Dist. restrs. and SS energy: -198.000 (S_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: 63
Temperature: 0.950000
Total energy: -1310.894204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.894204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.094204 (E_RNA)
where:
Base-Base interactions energy: -779.762
where: short stacking energy: -300.371
Base-Backbone interact. energy: -1.232
local terms energy: -339.099976
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -75.726
flat angles P-C4'-P energy: -51.993
tors. eta vs tors. theta energy: -74.764
Dist. restrs. and SS energy: -190.800 (S_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: 63
Temperature: 1.000000
Total energy: -1279.486125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.486125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.086125 (E_RNA)
where:
Base-Base interactions energy: -748.321
where: short stacking energy: -305.095
Base-Backbone interact. energy: 1.984
local terms energy: -338.749556
where:
bonds (distance) C4'-P energy: -61.362
bonds (distance) P-C4' energy: -82.421
flat angles C4'-P-C4' energy: -70.618
flat angles P-C4'-P energy: -55.481
tors. eta vs tors. theta energy: -68.867
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1246.257098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.257098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.857098 (E_RNA)
where:
Base-Base interactions energy: -762.068
where: short stacking energy: -303.222
Base-Backbone interact. energy: -2.748
local terms energy: -323.041389
where:
bonds (distance) C4'-P energy: -76.087
bonds (distance) P-C4' energy: -67.286
flat angles C4'-P-C4' energy: -70.170
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: -158.400 (S_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: 63
Temperature: 1.100000
Total energy: -1217.930040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.930040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.730040 (E_RNA)
where:
Base-Base interactions energy: -709.095
where: short stacking energy: -299.776
Base-Backbone interact. energy: -2.443
local terms energy: -319.192227
where:
bonds (distance) C4'-P energy: -68.258
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -71.800
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: -74.954
Dist. restrs. and SS energy: -187.200 (S_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: 63
Temperature: 1.150000
Total energy: -1268.037396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.037396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.437396 (E_RNA)
where:
Base-Base interactions energy: -762.001
where: short stacking energy: -294.185
Base-Backbone interact. energy: -2.703
local terms energy: -301.733836
where:
bonds (distance) C4'-P energy: -50.686
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -44.847
tors. eta vs tors. theta energy: -75.724
Dist. restrs. and SS energy: -201.600 (S_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: 63
Temperature: 1.200000
Total energy: -1080.351236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.351236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.351236 (E_RNA)
where:
Base-Base interactions energy: -614.351
where: short stacking energy: -242.820
Base-Backbone interact. energy: -0.490
local terms energy: -294.510307
where:
bonds (distance) C4'-P energy: -60.907
bonds (distance) P-C4' energy: -57.618
flat angles C4'-P-C4' energy: -70.155
flat angles P-C4'-P energy: -45.244
tors. eta vs tors. theta energy: -60.587
Dist. restrs. and SS energy: -171.000 (S_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: 63
Temperature: 1.250000
Total energy: -1158.008302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.008302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.808302 (E_RNA)
where:
Base-Base interactions energy: -656.727
where: short stacking energy: -258.977
Base-Backbone interact. energy: -1.909
local terms energy: -294.171945
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -58.041
flat angles C4'-P-C4' energy: -66.903
flat angles P-C4'-P energy: -51.991
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -969.602856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.602856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.002856 (E_RNA)
where:
Base-Base interactions energy: -581.991
where: short stacking energy: -244.883
Base-Backbone interact. energy: -0.398
local terms energy: -257.614482
where:
bonds (distance) C4'-P energy: -37.677
bonds (distance) P-C4' energy: -51.380
flat angles C4'-P-C4' energy: -68.713
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -62.347
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -885.548768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.548768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.748768 (E_RNA)
where:
Base-Base interactions energy: -473.606
where: short stacking energy: -197.054
Base-Backbone interact. energy: -1.049
local terms energy: -265.093336
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -66.787
flat angles C4'-P-C4' energy: -71.865
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -38.710
Dist. restrs. and SS energy: -145.800 (S_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: 64
Temperature: 0.900000
Total energy: -1433.025746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.025746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.025746 (E_RNA)
where:
Base-Base interactions energy: -853.207
where: short stacking energy: -342.490
Base-Backbone interact. energy: -2.329
local terms energy: -379.489099
where:
bonds (distance) C4'-P energy: -80.005
bonds (distance) P-C4' energy: -78.711
flat angles C4'-P-C4' energy: -71.312
flat angles P-C4'-P energy: -55.916
tors. eta vs tors. theta energy: -93.545
Dist. restrs. and SS energy: -198.000 (S_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: 64
Temperature: 0.950000
Total energy: -1333.558564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.558564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.558564 (E_RNA)
where:
Base-Base interactions energy: -807.540
where: short stacking energy: -323.766
Base-Backbone interact. energy: -1.186
local terms energy: -335.832645
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -68.171
flat angles C4'-P-C4' energy: -74.411
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: -69.535
Dist. restrs. and SS energy: -189.000 (S_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: 64
Temperature: 1.000000
Total energy: -1305.353213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.353213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.753213 (E_RNA)
where:
Base-Base interactions energy: -767.121
where: short stacking energy: -326.180
Base-Backbone interact. energy: -1.525
local terms energy: -335.106653
where:
bonds (distance) C4'-P energy: -67.221
bonds (distance) P-C4' energy: -62.242
flat angles C4'-P-C4' energy: -78.941
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -73.410
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1226.686171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.686171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.686171 (E_RNA)
where:
Base-Base interactions energy: -736.736
where: short stacking energy: -272.239
Base-Backbone interact. energy: -1.229
local terms energy: -326.721388
where:
bonds (distance) C4'-P energy: -67.702
bonds (distance) P-C4' energy: -68.245
flat angles C4'-P-C4' energy: -72.426
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -66.333
Dist. restrs. and SS energy: -162.000 (S_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: 64
Temperature: 1.100000
Total energy: -1287.499296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.499296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.099296 (E_RNA)
where:
Base-Base interactions energy: -752.539
where: short stacking energy: -304.658
Base-Backbone interact. energy: -2.051
local terms energy: -329.509272
where:
bonds (distance) C4'-P energy: -59.346
bonds (distance) P-C4' energy: -68.735
flat angles C4'-P-C4' energy: -79.757
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -80.638
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1214.415338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.415338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.015338 (E_RNA)
where:
Base-Base interactions energy: -702.063
where: short stacking energy: -283.544
Base-Backbone interact. energy: -0.381
local terms energy: -317.570747
where:
bonds (distance) C4'-P energy: -68.978
bonds (distance) P-C4' energy: -64.530
flat angles C4'-P-C4' energy: -73.527
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: -68.555
Dist. restrs. and SS energy: -194.400 (S_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: 64
Temperature: 1.200000
Total energy: -1172.840891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.840891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.840891 (E_RNA)
where:
Base-Base interactions energy: -678.341
where: short stacking energy: -266.897
Base-Backbone interact. energy: 1.207
local terms energy: -297.707723
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -69.201
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -68.649
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1051.840125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.840125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.440125 (E_RNA)
where:
Base-Base interactions energy: -588.580
where: short stacking energy: -234.294
Base-Backbone interact. energy: 3.824
local terms energy: -299.684561
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -69.975
flat angles C4'-P-C4' energy: -67.339
flat angles P-C4'-P energy: -45.544
tors. eta vs tors. theta energy: -64.251
Dist. restrs. and SS energy: -167.400 (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: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -927.017851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.017851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.617851 (E_RNA)
where:
Base-Base interactions energy: -511.358
where: short stacking energy: -213.612
Base-Backbone interact. energy: -2.400
local terms energy: -263.860148
where:
bonds (distance) C4'-P energy: -49.600
bonds (distance) P-C4' energy: -65.730
flat angles C4'-P-C4' energy: -64.484
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -43.866
Dist. restrs. and SS energy: -149.400 (S_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: -945.250691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.250691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.050691 (E_RNA)
where:
Base-Base interactions energy: -560.337
where: short stacking energy: -237.188
Base-Backbone interact. energy: 0.933
local terms energy: -261.646890
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -56.564
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -70.046
Dist. restrs. and SS energy: -124.200 (S_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: 65
Temperature: 0.900000
Total energy: -1444.844474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.844474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.444474 (E_RNA)
where:
Base-Base interactions energy: -881.151
where: short stacking energy: -338.081
Base-Backbone interact. energy: -2.065
local terms energy: -358.228454
where:
bonds (distance) C4'-P energy: -64.267
bonds (distance) P-C4' energy: -72.625
flat angles C4'-P-C4' energy: -77.308
flat angles P-C4'-P energy: -54.758
tors. eta vs tors. theta energy: -89.270
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1317.989477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.989477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.789477 (E_RNA)
where:
Base-Base interactions energy: -782.452
where: short stacking energy: -306.024
Base-Backbone interact. energy: 2.336
local terms energy: -350.673342
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -77.252
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -55.475
tors. eta vs tors. theta energy: -81.589
Dist. restrs. and SS energy: -187.200 (S_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: 65
Temperature: 1.000000
Total energy: -1356.355352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.355352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.555352 (E_RNA)
where:
Base-Base interactions energy: -785.689
where: short stacking energy: -315.074
Base-Backbone interact. energy: -1.947
local terms energy: -368.919395
where:
bonds (distance) C4'-P energy: -77.654
bonds (distance) P-C4' energy: -72.810
flat angles C4'-P-C4' energy: -77.226
flat angles P-C4'-P energy: -51.533
tors. eta vs tors. theta energy: -89.695
Dist. restrs. and SS energy: -199.800 (S_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: 65
Temperature: 1.050000
Total energy: -1286.983784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.983784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.183784 (E_RNA)
where:
Base-Base interactions energy: -761.752
where: short stacking energy: -313.861
Base-Backbone interact. energy: -0.088
local terms energy: -325.343488
where:
bonds (distance) C4'-P energy: -63.317
bonds (distance) P-C4' energy: -58.717
flat angles C4'-P-C4' energy: -82.766
flat angles P-C4'-P energy: -45.323
tors. eta vs tors. theta energy: -75.221
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1257.636080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.636080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.836080 (E_RNA)
where:
Base-Base interactions energy: -784.553
where: short stacking energy: -305.786
Base-Backbone interact. energy: 3.960
local terms energy: -313.242520
where:
bonds (distance) C4'-P energy: -62.728
bonds (distance) P-C4' energy: -68.232
flat angles C4'-P-C4' energy: -68.822
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -71.926
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1238.623841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.623841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.823841 (E_RNA)
where:
Base-Base interactions energy: -705.953
where: short stacking energy: -284.236
Base-Backbone interact. energy: -2.742
local terms energy: -339.128249
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -82.435
flat angles P-C4'-P energy: -51.024
tors. eta vs tors. theta energy: -68.765
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1168.439905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.439905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.439905 (E_RNA)
where:
Base-Base interactions energy: -648.040
where: short stacking energy: -265.228
Base-Backbone interact. energy: -0.752
local terms energy: -321.648282
where:
bonds (distance) C4'-P energy: -42.586
bonds (distance) P-C4' energy: -80.680
flat angles C4'-P-C4' energy: -71.255
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: -71.010
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1064.960194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.960194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.360194 (E_RNA)
where:
Base-Base interactions energy: -621.608
where: short stacking energy: -253.866
Base-Backbone interact. energy: 1.175
local terms energy: -278.926965
where:
bonds (distance) C4'-P energy: -69.815
bonds (distance) P-C4' energy: -59.904
flat angles C4'-P-C4' energy: -65.581
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -48.922
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -905.952853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.952853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.352853 (E_RNA)
where:
Base-Base interactions energy: -506.854
where: short stacking energy: -218.805
Base-Backbone interact. energy: -2.106
local terms energy: -249.392933
where:
bonds (distance) C4'-P energy: -52.766
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -60.143
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: -147.600 (S_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: -918.477507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.477507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.477507 (E_RNA)
where:
Base-Base interactions energy: -516.747
where: short stacking energy: -201.048
Base-Backbone interact. energy: -2.349
local terms energy: -273.381834
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -70.773
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -52.307
Dist. restrs. and SS energy: -126.000 (S_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: 66
Temperature: 0.900000
Total energy: -1447.715544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.715544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.115544 (E_RNA)
where:
Base-Base interactions energy: -875.814
where: short stacking energy: -339.909
Base-Backbone interact. energy: -4.819
local terms energy: -365.483249
where:
bonds (distance) C4'-P energy: -73.423
bonds (distance) P-C4' energy: -66.455
flat angles C4'-P-C4' energy: -80.023
flat angles P-C4'-P energy: -53.931
tors. eta vs tors. theta energy: -91.650
Dist. restrs. and SS energy: -201.600 (S_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: 66
Temperature: 0.950000
Total energy: -1328.543385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.543385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.343385 (E_RNA)
where:
Base-Base interactions energy: -794.160
where: short stacking energy: -327.605
Base-Backbone interact. energy: -2.696
local terms energy: -335.487393
where:
bonds (distance) C4'-P energy: -66.240
bonds (distance) P-C4' energy: -69.348
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -47.886
tors. eta vs tors. theta energy: -80.464
Dist. restrs. and SS energy: -196.200 (S_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: -1348.597274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.597274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.797274 (E_RNA)
where:
Base-Base interactions energy: -789.590
where: short stacking energy: -350.200
Base-Backbone interact. energy: -0.646
local terms energy: -358.561217
where:
bonds (distance) C4'-P energy: -67.382
bonds (distance) P-C4' energy: -64.720
flat angles C4'-P-C4' energy: -79.881
flat angles P-C4'-P energy: -53.443
tors. eta vs tors. theta energy: -93.136
Dist. restrs. and SS energy: -199.800 (S_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: 66
Temperature: 1.050000
Total energy: -1309.844559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.844559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.044559 (E_RNA)
where:
Base-Base interactions energy: -780.230
where: short stacking energy: -316.189
Base-Backbone interact. energy: 1.287
local terms energy: -331.101573
where:
bonds (distance) C4'-P energy: -64.470
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -70.697
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -88.433
Dist. restrs. and SS energy: -199.800 (S_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: 66
Temperature: 1.100000
Total energy: -1278.765962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.765962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.965962 (E_RNA)
where:
Base-Base interactions energy: -772.301
where: short stacking energy: -326.353
Base-Backbone interact. energy: -1.766
local terms energy: -313.899824
where:
bonds (distance) C4'-P energy: -38.909
bonds (distance) P-C4' energy: -66.625
flat angles C4'-P-C4' energy: -66.407
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -92.950
Dist. restrs. and SS energy: -190.800 (S_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: 66
Temperature: 1.150000
Total energy: -1194.618626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.618626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.018626 (E_RNA)
where:
Base-Base interactions energy: -718.751
where: short stacking energy: -272.705
Base-Backbone interact. energy: -0.450
local terms energy: -309.817939
where:
bonds (distance) C4'-P energy: -69.515
bonds (distance) P-C4' energy: -66.736
flat angles C4'-P-C4' energy: -74.803
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -69.725
Dist. restrs. and SS energy: -165.600 (S_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: 66
Temperature: 1.200000
Total energy: -1207.306558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.306558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.306558 (E_RNA)
where:
Base-Base interactions energy: -683.952
where: short stacking energy: -284.926
Base-Backbone interact. energy: -1.164
local terms energy: -315.190795
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -66.788
flat angles C4'-P-C4' energy: -70.480
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -73.893
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1051.131337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.131337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.131337 (E_RNA)
where:
Base-Base interactions energy: -610.565
where: short stacking energy: -264.087
Base-Backbone interact. energy: -1.601
local terms energy: -267.964989
where:
bonds (distance) C4'-P energy: -55.034
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -74.493
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -49.813
Dist. restrs. and SS energy: -171.000 (S_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: -997.496312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.496312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.696312 (E_RNA)
where:
Base-Base interactions energy: -586.122
where: short stacking energy: -256.066
Base-Backbone interact. energy: 0.772
local terms energy: -284.346083
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -74.785
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -54.789
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -873.030849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.030849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.830849 (E_RNA)
where:
Base-Base interactions energy: -483.186
where: short stacking energy: -200.660
Base-Backbone interact. energy: 1.471
local terms energy: -240.115351
where:
bonds (distance) C4'-P energy: -72.131
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -49.626
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: -151.200 (S_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: 67
Temperature: 0.900000
Total energy: -1425.697550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.697550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.697550 (E_RNA)
where:
Base-Base interactions energy: -859.293
where: short stacking energy: -319.360
Base-Backbone interact. energy: -1.774
local terms energy: -366.629766
where:
bonds (distance) C4'-P energy: -77.997
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -50.036
tors. eta vs tors. theta energy: -88.914
Dist. restrs. and SS energy: -198.000 (S_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: 67
Temperature: 0.950000
Total energy: -1372.969913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.969913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.769913 (E_RNA)
where:
Base-Base interactions energy: -801.397
where: short stacking energy: -328.234
Base-Backbone interact. energy: -2.590
local terms energy: -372.782984
where:
bonds (distance) C4'-P energy: -68.088
bonds (distance) P-C4' energy: -84.489
flat angles C4'-P-C4' energy: -79.715
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -86.917
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1271.212568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.212568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.412568 (E_RNA)
where:
Base-Base interactions energy: -752.614
where: short stacking energy: -287.735
Base-Backbone interact. energy: -0.210
local terms energy: -336.587855
where:
bonds (distance) C4'-P energy: -68.709
bonds (distance) P-C4' energy: -71.727
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -55.711
tors. eta vs tors. theta energy: -69.236
Dist. restrs. and SS energy: -181.800 (S_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: 67
Temperature: 1.050000
Total energy: -1324.700208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.700208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.900208 (E_RNA)
where:
Base-Base interactions energy: -776.717
where: short stacking energy: -324.556
Base-Backbone interact. energy: -2.575
local terms energy: -354.607649
where:
bonds (distance) C4'-P energy: -61.235
bonds (distance) P-C4' energy: -74.755
flat angles C4'-P-C4' energy: -76.035
flat angles P-C4'-P energy: -55.251
tors. eta vs tors. theta energy: -87.333
Dist. restrs. and SS energy: -190.800 (S_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: 67
Temperature: 1.100000
Total energy: -1254.317694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.317694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.517694 (E_RNA)
where:
Base-Base interactions energy: -739.020
where: short stacking energy: -304.019
Base-Backbone interact. energy: -1.314
local terms energy: -323.183332
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -74.600
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -70.586
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1216.721937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.721937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.121937 (E_RNA)
where:
Base-Base interactions energy: -714.366
where: short stacking energy: -297.206
Base-Backbone interact. energy: 4.965
local terms energy: -305.721251
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -67.067
flat angles C4'-P-C4' energy: -68.649
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -76.102
Dist. restrs. and SS energy: -201.600 (S_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: 67
Temperature: 1.200000
Total energy: -1146.793129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.793129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.793129 (E_RNA)
where:
Base-Base interactions energy: -680.095
where: short stacking energy: -258.729
Base-Backbone interact. energy: -2.221
local terms energy: -302.477242
where:
bonds (distance) C4'-P energy: -61.408
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -64.150
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -65.669
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -997.042199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.042199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.242199 (E_RNA)
where:
Base-Base interactions energy: -548.435
where: short stacking energy: -230.758
Base-Backbone interact. energy: 4.465
local terms energy: -289.273142
where:
bonds (distance) C4'-P energy: -64.238
bonds (distance) P-C4' energy: -76.942
flat angles C4'-P-C4' energy: -62.148
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -41.125
Dist. restrs. and SS energy: -163.800 (S_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: 67
Temperature: 1.300000
Total energy: -963.593952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.593952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.793952 (E_RNA)
where:
Base-Base interactions energy: -566.568
where: short stacking energy: -229.764
Base-Backbone interact. energy: 0.502
local terms energy: -269.727854
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -71.130
flat angles C4'-P-C4' energy: -54.703
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -52.539
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -878.630553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.630553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.630553 (E_RNA)
where:
Base-Base interactions energy: -489.110
where: short stacking energy: -196.003
Base-Backbone interact. energy: 3.794
local terms energy: -249.314807
where:
bonds (distance) C4'-P energy: -62.251
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: -36.669
Dist. restrs. and SS energy: -144.000 (S_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: 68
Temperature: 0.900000
Total energy: -1436.875100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.875100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.875100 (E_RNA)
where:
Base-Base interactions energy: -852.881
where: short stacking energy: -356.239
Base-Backbone interact. energy: -4.269
local terms energy: -381.724641
where:
bonds (distance) C4'-P energy: -72.073
bonds (distance) P-C4' energy: -79.969
flat angles C4'-P-C4' energy: -76.549
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -95.075
Dist. restrs. and SS energy: -198.000 (S_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: 68
Temperature: 0.950000
Total energy: -1356.547157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.547157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.947157 (E_RNA)
where:
Base-Base interactions energy: -807.658
where: short stacking energy: -339.907
Base-Backbone interact. energy: -2.414
local terms energy: -344.874489
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -63.473
flat angles C4'-P-C4' energy: -71.618
flat angles P-C4'-P energy: -56.336
tors. eta vs tors. theta energy: -85.282
Dist. restrs. and SS energy: -201.600 (S_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: 68
Temperature: 1.000000
Total energy: -1327.067557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.067557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.467557 (E_RNA)
where:
Base-Base interactions energy: -760.228
where: short stacking energy: -323.778
Base-Backbone interact. energy: -1.868
local terms energy: -363.372291
where:
bonds (distance) C4'-P energy: -67.665
bonds (distance) P-C4' energy: -75.411
flat angles C4'-P-C4' energy: -77.900
flat angles P-C4'-P energy: -55.352
tors. eta vs tors. theta energy: -87.045
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1250.307795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.307795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.507795 (E_RNA)
where:
Base-Base interactions energy: -738.838
where: short stacking energy: -283.483
Base-Backbone interact. energy: -2.824
local terms energy: -326.845129
where:
bonds (distance) C4'-P energy: -66.427
bonds (distance) P-C4' energy: -79.873
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -46.401
tors. eta vs tors. theta energy: -54.941
Dist. restrs. and SS energy: -181.800 (S_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: 68
Temperature: 1.100000
Total energy: -1236.753618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.753618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.953618 (E_RNA)
where:
Base-Base interactions energy: -698.570
where: short stacking energy: -303.182
Base-Backbone interact. energy: 2.573
local terms energy: -331.955902
where:
bonds (distance) C4'-P energy: -66.640
bonds (distance) P-C4' energy: -69.230
flat angles C4'-P-C4' energy: -81.552
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -74.713
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1246.367994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.367994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.767994 (E_RNA)
where:
Base-Base interactions energy: -754.013
where: short stacking energy: -282.873
Base-Backbone interact. energy: -0.644
local terms energy: -299.111073
where:
bonds (distance) C4'-P energy: -55.127
bonds (distance) P-C4' energy: -65.854
flat angles C4'-P-C4' energy: -65.705
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -73.214
Dist. restrs. and SS energy: -192.600 (S_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: 68
Temperature: 1.200000
Total energy: -1134.898849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.898849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.498849 (E_RNA)
where:
Base-Base interactions energy: -659.728
where: short stacking energy: -262.045
Base-Backbone interact. energy: -0.308
local terms energy: -307.463170
where:
bonds (distance) C4'-P energy: -65.187
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -65.382
flat angles P-C4'-P energy: -45.850
tors. eta vs tors. theta energy: -63.359
Dist. restrs. and SS energy: -167.400 (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: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1036.227567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.227567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.027567 (E_RNA)
where:
Base-Base interactions energy: -587.447
where: short stacking energy: -228.273
Base-Backbone interact. energy: -0.171
local terms energy: -279.410033
where:
bonds (distance) C4'-P energy: -49.583
bonds (distance) P-C4' energy: -68.269
flat angles C4'-P-C4' energy: -75.402
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -48.459
Dist. restrs. and SS energy: -169.200 (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: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -983.278764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.278764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.078764 (E_RNA)
where:
Base-Base interactions energy: -592.665
where: short stacking energy: -239.029
Base-Backbone interact. energy: -2.428
local terms energy: -263.986198
where:
bonds (distance) C4'-P energy: -56.316
bonds (distance) P-C4' energy: -63.707
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -48.595
Dist. restrs. and SS energy: -124.200 (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: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -892.809428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.809428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.609428 (E_RNA)
where:
Base-Base interactions energy: -502.586
where: short stacking energy: -211.404
Base-Backbone interact. energy: -1.960
local terms energy: -237.063598
where:
bonds (distance) C4'-P energy: -50.133
bonds (distance) P-C4' energy: -58.484
flat angles C4'-P-C4' energy: -60.684
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -36.113
Dist. restrs. and SS energy: -151.200 (S_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: 69
Temperature: 0.900000
Total energy: -1439.737406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.737406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.137406 (E_RNA)
where:
Base-Base interactions energy: -857.091
where: short stacking energy: -347.327
Base-Backbone interact. energy: -1.465
local terms energy: -379.581624
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -81.970
flat angles C4'-P-C4' energy: -79.965
flat angles P-C4'-P energy: -63.620
tors. eta vs tors. theta energy: -88.952
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1352.213105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.213105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.013105 (E_RNA)
where:
Base-Base interactions energy: -791.142
where: short stacking energy: -332.917
Base-Backbone interact. energy: -2.018
local terms energy: -353.853501
where:
bonds (distance) C4'-P energy: -62.140
bonds (distance) P-C4' energy: -73.565
flat angles C4'-P-C4' energy: -76.838
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -86.767
Dist. restrs. and SS energy: -205.200 (S_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: -1326.492392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.492392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.492392 (E_RNA)
where:
Base-Base interactions energy: -784.235
where: short stacking energy: -339.073
Base-Backbone interact. energy: -1.325
local terms energy: -342.933116
where:
bonds (distance) C4'-P energy: -61.019
bonds (distance) P-C4' energy: -70.558
flat angles C4'-P-C4' energy: -78.304
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -87.265
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1259.809336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.809336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.609336 (E_RNA)
where:
Base-Base interactions energy: -738.793
where: short stacking energy: -288.196
Base-Backbone interact. energy: 1.042
local terms energy: -334.858481
where:
bonds (distance) C4'-P energy: -67.137
bonds (distance) P-C4' energy: -72.147
flat angles C4'-P-C4' energy: -77.487
flat angles P-C4'-P energy: -51.042
tors. eta vs tors. theta energy: -67.045
Dist. restrs. and SS energy: -187.200 (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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1280.186057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.186057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.986057 (E_RNA)
where:
Base-Base interactions energy: -727.760
where: short stacking energy: -311.374
Base-Backbone interact. energy: -2.155
local terms energy: -345.070550
where:
bonds (distance) C4'-P energy: -60.880
bonds (distance) P-C4' energy: -69.374
flat angles C4'-P-C4' energy: -68.029
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: -93.147
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1148.786832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.786832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.186832 (E_RNA)
where:
Base-Base interactions energy: -682.122
where: short stacking energy: -277.869
Base-Backbone interact. energy: -1.706
local terms energy: -299.357978
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -68.728
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -65.459
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1216.324964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.324964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.524964 (E_RNA)
where:
Base-Base interactions energy: -700.198
where: short stacking energy: -265.905
Base-Backbone interact. energy: -1.237
local terms energy: -324.089115
where:
bonds (distance) C4'-P energy: -68.619
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -54.695
tors. eta vs tors. theta energy: -70.426
Dist. restrs. and SS energy: -190.800 (S_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: 69
Temperature: 1.250000
Total energy: -1051.662911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.662911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.862911 (E_RNA)
where:
Base-Base interactions energy: -645.222
where: short stacking energy: -251.440
Base-Backbone interact. energy: 0.767
local terms energy: -279.407584
where:
bonds (distance) C4'-P energy: -48.119
bonds (distance) P-C4' energy: -64.326
flat angles C4'-P-C4' energy: -57.395
flat angles P-C4'-P energy: -47.808
tors. eta vs tors. theta energy: -61.759
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1034.245989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.245989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.245989 (E_RNA)
where:
Base-Base interactions energy: -618.268
where: short stacking energy: -250.486
Base-Backbone interact. energy: -1.139
local terms energy: -252.839205
where:
bonds (distance) C4'-P energy: -61.905
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -66.444
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -59.727
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -855.731508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.731508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.931508 (E_RNA)
where:
Base-Base interactions energy: -480.141
where: short stacking energy: -197.897
Base-Backbone interact. energy: -1.334
local terms energy: -228.456608
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -37.913
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: -145.800 (S_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: 70
Temperature: 0.900000
Total energy: -1417.414363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.414363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.814363 (E_RNA)
where:
Base-Base interactions energy: -862.358
where: short stacking energy: -333.604
Base-Backbone interact. energy: -2.660
local terms energy: -350.796447
where:
bonds (distance) C4'-P energy: -73.380
bonds (distance) P-C4' energy: -68.555
flat angles C4'-P-C4' energy: -80.468
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -81.539
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1358.447244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.447244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.047244 (E_RNA)
where:
Base-Base interactions energy: -794.759
where: short stacking energy: -329.796
Base-Backbone interact. energy: -3.104
local terms energy: -366.184356
where:
bonds (distance) C4'-P energy: -72.257
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -77.417
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -85.064
Dist. restrs. and SS energy: -194.400 (S_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: -1346.369594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.369594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.169594 (E_RNA)
where:
Base-Base interactions energy: -789.767
where: short stacking energy: -326.824
Base-Backbone interact. energy: 0.162
local terms energy: -360.564447
where:
bonds (distance) C4'-P energy: -62.793
bonds (distance) P-C4' energy: -75.113
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -61.949
tors. eta vs tors. theta energy: -89.221
Dist. restrs. and SS energy: -196.200 (S_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: 70
Temperature: 1.050000
Total energy: -1253.360151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.360151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.560151 (E_RNA)
where:
Base-Base interactions energy: -744.012
where: short stacking energy: -304.719
Base-Backbone interact. energy: -1.731
local terms energy: -325.817280
where:
bonds (distance) C4'-P energy: -67.275
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -84.603
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -67.031
Dist. restrs. and SS energy: -181.800 (S_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: 70
Temperature: 1.100000
Total energy: -1240.780489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.780489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.380489 (E_RNA)
where:
Base-Base interactions energy: -711.170
where: short stacking energy: -307.480
Base-Backbone interact. energy: -3.062
local terms energy: -323.148108
where:
bonds (distance) C4'-P energy: -58.709
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -80.659
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1140.933446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.933446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.533446 (E_RNA)
where:
Base-Base interactions energy: -669.951
where: short stacking energy: -250.706
Base-Backbone interact. energy: -0.598
local terms energy: -311.984222
where:
bonds (distance) C4'-P energy: -54.312
bonds (distance) P-C4' energy: -65.738
flat angles C4'-P-C4' energy: -69.815
flat angles P-C4'-P energy: -49.905
tors. eta vs tors. theta energy: -72.215
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1195.530132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.530132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.730132 (E_RNA)
where:
Base-Base interactions energy: -705.939
where: short stacking energy: -279.128
Base-Backbone interact. energy: 4.605
local terms energy: -303.395517
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -79.324
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -72.421
Dist. restrs. and SS energy: -190.800 (S_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: 70
Temperature: 1.250000
Total energy: -1029.694277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.694277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.694277 (E_RNA)
where:
Base-Base interactions energy: -600.826
where: short stacking energy: -251.804
Base-Backbone interact. energy: 4.072
local terms energy: -306.940202
where:
bonds (distance) C4'-P energy: -69.543
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -73.776
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -66.296
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1006.755952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.755952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.955952 (E_RNA)
where:
Base-Base interactions energy: -574.194
where: short stacking energy: -246.325
Base-Backbone interact. energy: 4.175
local terms energy: -263.936221
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -61.799
flat angles C4'-P-C4' energy: -62.366
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -68.929
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -895.182466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.182466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.382466 (E_RNA)
where:
Base-Base interactions energy: -489.805
where: short stacking energy: -214.611
Base-Backbone interact. energy: 1.966
local terms energy: -261.543217
where:
bonds (distance) C4'-P energy: -52.588
bonds (distance) P-C4' energy: -67.514
flat angles C4'-P-C4' energy: -69.059
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -52.354
Dist. restrs. and SS energy: -145.800 (S_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: 71
Temperature: 0.900000
Total energy: -1414.282252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.282252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.882252 (E_RNA)
where:
Base-Base interactions energy: -838.767
where: short stacking energy: -348.613
Base-Backbone interact. energy: 0.001
local terms energy: -372.116222
where:
bonds (distance) C4'-P energy: -70.321
bonds (distance) P-C4' energy: -70.486
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -61.813
tors. eta vs tors. theta energy: -92.044
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1379.226669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.226669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.026669 (E_RNA)
where:
Base-Base interactions energy: -828.832
where: short stacking energy: -333.060
Base-Backbone interact. energy: -1.559
local terms energy: -352.635929
where:
bonds (distance) C4'-P energy: -59.448
bonds (distance) P-C4' energy: -74.522
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -91.766
Dist. restrs. and SS energy: -196.200 (S_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: 71
Temperature: 1.000000
Total energy: -1318.051054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.051054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.051054 (E_RNA)
where:
Base-Base interactions energy: -768.226
where: short stacking energy: -316.905
Base-Backbone interact. energy: -1.900
local terms energy: -349.924869
where:
bonds (distance) C4'-P energy: -73.299
bonds (distance) P-C4' energy: -69.616
flat angles C4'-P-C4' energy: -79.085
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -80.875
Dist. restrs. and SS energy: -198.000 (S_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: 71
Temperature: 1.050000
Total energy: -1251.876231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.876231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.676231 (E_RNA)
where:
Base-Base interactions energy: -739.302
where: short stacking energy: -289.471
Base-Backbone interact. energy: -1.055
local terms energy: -324.319056
where:
bonds (distance) C4'-P energy: -68.524
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -76.545
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -65.421
Dist. restrs. and SS energy: -187.200 (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: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1233.024544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.024544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.424544 (E_RNA)
where:
Base-Base interactions energy: -726.174
where: short stacking energy: -308.230
Base-Backbone interact. energy: -0.653
local terms energy: -304.597106
where:
bonds (distance) C4'-P energy: -65.667
bonds (distance) P-C4' energy: -65.650
flat angles C4'-P-C4' energy: -64.634
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -79.570
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1232.586842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.586842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.186842 (E_RNA)
where:
Base-Base interactions energy: -707.561
where: short stacking energy: -281.959
Base-Backbone interact. energy: -2.262
local terms energy: -328.363473
where:
bonds (distance) C4'-P energy: -61.030
bonds (distance) P-C4' energy: -71.742
flat angles C4'-P-C4' energy: -72.374
flat angles P-C4'-P energy: -50.375
tors. eta vs tors. theta energy: -72.842
Dist. restrs. and SS energy: -194.400 (S_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: 71
Temperature: 1.200000
Total energy: -1102.098081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.098081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.098081 (E_RNA)
where:
Base-Base interactions energy: -664.670
where: short stacking energy: -273.686
Base-Backbone interact. energy: -1.631
local terms energy: -282.796520
where:
bonds (distance) C4'-P energy: -55.595
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -71.094
flat angles P-C4'-P energy: -38.182
tors. eta vs tors. theta energy: -63.178
Dist. restrs. and SS energy: -153.000 (S_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: 71
Temperature: 1.250000
Total energy: -974.139865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.139865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.139865 (E_RNA)
where:
Base-Base interactions energy: -581.594
where: short stacking energy: -230.012
Base-Backbone interact. energy: 1.534
local terms energy: -268.079328
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -68.793
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -40.986
tors. eta vs tors. theta energy: -50.237
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1012.406215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.406215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.406215 (E_RNA)
where:
Base-Base interactions energy: -593.487
where: short stacking energy: -230.892
Base-Backbone interact. energy: -0.807
local terms energy: -247.112759
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -32.540
tors. eta vs tors. theta energy: -47.454
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -891.079874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.079874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.479874 (E_RNA)
where:
Base-Base interactions energy: -494.479
where: short stacking energy: -194.676
Base-Backbone interact. energy: -3.530
local terms energy: -245.470670
where:
bonds (distance) C4'-P energy: -54.556
bonds (distance) P-C4' energy: -62.076
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: -33.399
Dist. restrs. and SS energy: -147.600 (S_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: 72
Temperature: 0.900000
Total energy: -1411.444254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.444254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.244254 (E_RNA)
where:
Base-Base interactions energy: -846.223
where: short stacking energy: -341.209
Base-Backbone interact. energy: -2.453
local terms energy: -366.568396
where:
bonds (distance) C4'-P energy: -60.400
bonds (distance) P-C4' energy: -75.060
flat angles C4'-P-C4' energy: -83.267
flat angles P-C4'-P energy: -55.132
tors. eta vs tors. theta energy: -92.710
Dist. restrs. and SS energy: -196.200 (S_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: 72
Temperature: 0.950000
Total energy: -1400.074370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.074370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.274370 (E_RNA)
where:
Base-Base interactions energy: -819.574
where: short stacking energy: -344.484
Base-Backbone interact. energy: -1.638
local terms energy: -379.061896
where:
bonds (distance) C4'-P energy: -78.381
bonds (distance) P-C4' energy: -76.066
flat angles C4'-P-C4' energy: -82.221
flat angles P-C4'-P energy: -48.428
tors. eta vs tors. theta energy: -93.966
Dist. restrs. and SS energy: -199.800 (S_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: 72
Temperature: 1.000000
Total energy: -1334.176154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.176154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.376154 (E_RNA)
where:
Base-Base interactions energy: -794.225
where: short stacking energy: -321.173
Base-Backbone interact. energy: -0.780
local terms energy: -339.371365
where:
bonds (distance) C4'-P energy: -68.365
bonds (distance) P-C4' energy: -67.488
flat angles C4'-P-C4' energy: -76.519
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -84.320
Dist. restrs. and SS energy: -199.800 (S_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: 72
Temperature: 1.050000
Total energy: -1264.944699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.944699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.344699 (E_RNA)
where:
Base-Base interactions energy: -744.771
where: short stacking energy: -304.527
Base-Backbone interact. energy: -1.150
local terms energy: -335.423556
where:
bonds (distance) C4'-P energy: -68.498
bonds (distance) P-C4' energy: -77.552
flat angles C4'-P-C4' energy: -74.278
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -72.036
Dist. restrs. and SS energy: -183.600 (S_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: 72
Temperature: 1.100000
Total energy: -1252.626915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.626915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.626915 (E_RNA)
where:
Base-Base interactions energy: -711.765
where: short stacking energy: -310.740
Base-Backbone interact. energy: -1.215
local terms energy: -332.647120
where:
bonds (distance) C4'-P energy: -64.661
bonds (distance) P-C4' energy: -65.397
flat angles C4'-P-C4' energy: -67.728
flat angles P-C4'-P energy: -55.841
tors. eta vs tors. theta energy: -79.020
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1199.325885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.325885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.525885 (E_RNA)
where:
Base-Base interactions energy: -700.678
where: short stacking energy: -287.173
Base-Backbone interact. energy: -0.621
local terms energy: -307.226551
where:
bonds (distance) C4'-P energy: -67.329
bonds (distance) P-C4' energy: -68.585
flat angles C4'-P-C4' energy: -77.415
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -75.554
Dist. restrs. and SS energy: -190.800 (S_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: 72
Temperature: 1.200000
Total energy: -1096.913897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.913897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.313897 (E_RNA)
where:
Base-Base interactions energy: -650.862
where: short stacking energy: -261.186
Base-Backbone interact. energy: -1.871
local terms energy: -287.580838
where:
bonds (distance) C4'-P energy: -64.530
bonds (distance) P-C4' energy: -59.961
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -62.250
Dist. restrs. and SS energy: -156.600 (S_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: 72
Temperature: 1.250000
Total energy: -957.707038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.707038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.907038 (E_RNA)
where:
Base-Base interactions energy: -555.288
where: short stacking energy: -229.456
Base-Backbone interact. energy: -0.631
local terms energy: -273.988230
where:
bonds (distance) C4'-P energy: -76.093
bonds (distance) P-C4' energy: -59.833
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -42.032
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -997.338743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.338743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.138743 (E_RNA)
where:
Base-Base interactions energy: -553.873
where: short stacking energy: -234.145
Base-Backbone interact. energy: -1.719
local terms energy: -272.546670
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -51.644
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -47.199
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -876.675020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.675020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.475020 (E_RNA)
where:
Base-Base interactions energy: -470.038
where: short stacking energy: -199.212
Base-Backbone interact. energy: 1.272
local terms energy: -265.708892
where:
bonds (distance) C4'-P energy: -63.842
bonds (distance) P-C4' energy: -68.768
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -35.484
tors. eta vs tors. theta energy: -36.996
Dist. restrs. and SS energy: -142.200 (S_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: 73
Temperature: 0.900000
Total energy: -1410.296632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.296632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.296632 (E_RNA)
where:
Base-Base interactions energy: -853.970
where: short stacking energy: -355.776
Base-Backbone interact. energy: 0.035
local terms energy: -358.362335
where:
bonds (distance) C4'-P energy: -65.074
bonds (distance) P-C4' energy: -72.478
flat angles C4'-P-C4' energy: -78.660
flat angles P-C4'-P energy: -45.550
tors. eta vs tors. theta energy: -96.600
Dist. restrs. and SS energy: -198.000 (S_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: 73
Temperature: 0.950000
Total energy: -1383.902702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.902702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.502702 (E_RNA)
where:
Base-Base interactions energy: -814.799
where: short stacking energy: -329.593
Base-Backbone interact. energy: -1.426
local terms energy: -373.277410
where:
bonds (distance) C4'-P energy: -70.817
bonds (distance) P-C4' energy: -78.689
flat angles C4'-P-C4' energy: -83.986
flat angles P-C4'-P energy: -46.283
tors. eta vs tors. theta energy: -93.502
Dist. restrs. and SS energy: -194.400 (S_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: 73
Temperature: 1.000000
Total energy: -1356.701206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.701206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.901206 (E_RNA)
where:
Base-Base interactions energy: -788.992
where: short stacking energy: -314.861
Base-Backbone interact. energy: -3.451
local terms energy: -364.458007
where:
bonds (distance) C4'-P energy: -74.615
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -75.483
flat angles P-C4'-P energy: -53.711
tors. eta vs tors. theta energy: -81.079
Dist. restrs. and SS energy: -199.800 (S_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: 73
Temperature: 1.050000
Total energy: -1285.751489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.751489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.551489 (E_RNA)
where:
Base-Base interactions energy: -736.844
where: short stacking energy: -310.886
Base-Backbone interact. energy: -1.259
local terms energy: -342.448429
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -75.100
flat angles C4'-P-C4' energy: -81.535
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -78.946
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1219.118138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.118138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.718138 (E_RNA)
where:
Base-Base interactions energy: -735.311
where: short stacking energy: -289.902
Base-Backbone interact. energy: 1.813
local terms energy: -300.220181
where:
bonds (distance) C4'-P energy: -55.848
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -70.495
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -72.270
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. 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: -1217.188672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.188672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.188672 (E_RNA)
where:
Base-Base interactions energy: -717.460
where: short stacking energy: -301.265
Base-Backbone interact. energy: 3.070
local terms energy: -313.798536
where:
bonds (distance) C4'-P energy: -48.695
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -77.051
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -77.948
Dist. restrs. and SS energy: -189.000 (S_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: 73
Temperature: 1.200000
Total energy: -1127.259565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.259565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.859565 (E_RNA)
where:
Base-Base interactions energy: -667.858
where: short stacking energy: -246.182
Base-Backbone interact. energy: -1.344
local terms energy: -290.657917
where:
bonds (distance) C4'-P energy: -69.903
bonds (distance) P-C4' energy: -77.860
flat angles C4'-P-C4' energy: -57.869
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -50.944
Dist. restrs. and SS energy: -167.400 (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: 73
Temperature: 1.250000
Total energy: -946.320153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.320153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.720153 (E_RNA)
where:
Base-Base interactions energy: -521.265
where: short stacking energy: -214.413
Base-Backbone interact. energy: -1.602
local terms energy: -302.852640
where:
bonds (distance) C4'-P energy: -66.199
bonds (distance) P-C4' energy: -75.741
flat angles C4'-P-C4' energy: -60.336
flat angles P-C4'-P energy: -47.661
tors. eta vs tors. theta energy: -52.915
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. 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: -987.757682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.757682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.557682 (E_RNA)
where:
Base-Base interactions energy: -550.631
where: short stacking energy: -235.369
Base-Backbone interact. energy: 0.566
local terms energy: -268.492509
where:
bonds (distance) C4'-P energy: -60.389
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -45.133
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -928.094130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.094130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.094130 (E_RNA)
where:
Base-Base interactions energy: -515.081
where: short stacking energy: -205.882
Base-Backbone interact. energy: -1.421
local terms energy: -249.592479
where:
bonds (distance) C4'-P energy: -57.384
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -46.020
Dist. restrs. and SS energy: -162.000 (S_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: 74
Temperature: 0.900000
Total energy: -1414.096034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.096034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.096034 (E_RNA)
where:
Base-Base interactions energy: -856.108
where: short stacking energy: -367.970
Base-Backbone interact. energy: -0.019
local terms energy: -359.968348
where:
bonds (distance) C4'-P energy: -74.540
bonds (distance) P-C4' energy: -68.197
flat angles C4'-P-C4' energy: -85.033
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -85.715
Dist. restrs. and SS energy: -198.000 (S_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: 74
Temperature: 0.950000
Total energy: -1386.659585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.659585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.859585 (E_RNA)
where:
Base-Base interactions energy: -822.128
where: short stacking energy: -322.192
Base-Backbone interact. energy: -3.549
local terms energy: -361.182486
where:
bonds (distance) C4'-P energy: -64.835
bonds (distance) P-C4' energy: -75.418
flat angles C4'-P-C4' energy: -84.749
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -82.234
Dist. restrs. and SS energy: -199.800 (S_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: 74
Temperature: 1.000000
Total energy: -1352.950063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.950063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.950063 (E_RNA)
where:
Base-Base interactions energy: -792.377
where: short stacking energy: -334.261
Base-Backbone interact. energy: -1.514
local terms energy: -370.058557
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -78.084
flat angles C4'-P-C4' energy: -84.604
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -91.060
Dist. restrs. and SS energy: -189.000 (S_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: 74
Temperature: 1.050000
Total energy: -1272.325349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.325349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.525349 (E_RNA)
where:
Base-Base interactions energy: -732.474
where: short stacking energy: -311.780
Base-Backbone interact. energy: -0.691
local terms energy: -330.360222
where:
bonds (distance) C4'-P energy: -61.061
bonds (distance) P-C4' energy: -64.389
flat angles C4'-P-C4' energy: -75.854
flat angles P-C4'-P energy: -50.595
tors. eta vs tors. theta energy: -78.462
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1268.094866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.094866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.294866 (E_RNA)
where:
Base-Base interactions energy: -752.792
where: short stacking energy: -306.806
Base-Backbone interact. energy: -1.671
local terms energy: -322.831966
where:
bonds (distance) C4'-P energy: -57.070
bonds (distance) P-C4' energy: -64.702
flat angles C4'-P-C4' energy: -69.594
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -84.620
Dist. restrs. and SS energy: -190.800 (S_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: 74
Temperature: 1.150000
Total energy: -1161.787038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.787038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.187038 (E_RNA)
where:
Base-Base interactions energy: -675.972
where: short stacking energy: -252.851
Base-Backbone interact. energy: -1.898
local terms energy: -300.317854
where:
bonds (distance) C4'-P energy: -56.062
bonds (distance) P-C4' energy: -69.674
flat angles C4'-P-C4' energy: -62.682
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: -66.290
Dist. restrs. and SS energy: -183.600 (S_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: -1149.400351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.400351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.200351 (E_RNA)
where:
Base-Base interactions energy: -689.580
where: short stacking energy: -270.132
Base-Backbone interact. energy: -3.440
local terms energy: -287.180766
where:
bonds (distance) C4'-P energy: -66.113
bonds (distance) P-C4' energy: -64.560
flat angles C4'-P-C4' energy: -69.313
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -57.031
Dist. restrs. and SS energy: -169.200 (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: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -932.319908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.319908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.719908 (E_RNA)
where:
Base-Base interactions energy: -527.543
where: short stacking energy: -211.655
Base-Backbone interact. energy: 1.968
local terms energy: -268.144267
where:
bonds (distance) C4'-P energy: -62.698
bonds (distance) P-C4' energy: -57.930
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -42.358
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. 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: -977.351391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.351391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.151391 (E_RNA)
where:
Base-Base interactions energy: -534.696
where: short stacking energy: -235.975
Base-Backbone interact. energy: 0.224
local terms energy: -273.679867
where:
bonds (distance) C4'-P energy: -60.977
bonds (distance) P-C4' energy: -67.279
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -949.880580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.880580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.680580 (E_RNA)
where:
Base-Base interactions energy: -522.298
where: short stacking energy: -228.639
Base-Backbone interact. energy: -0.076
local terms energy: -267.307035
where:
bonds (distance) C4'-P energy: -64.849
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -49.598
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -53.042
Dist. restrs. and SS energy: -160.200 (S_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: 75
Temperature: 0.900000
Total energy: -1421.047959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.047959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.447959 (E_RNA)
where:
Base-Base interactions energy: -848.714
where: short stacking energy: -366.310
Base-Backbone interact. energy: -2.232
local terms energy: -368.501972
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -68.540
flat angles C4'-P-C4' energy: -75.333
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -94.800
Dist. restrs. and SS energy: -201.600 (S_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: -1395.682209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.682209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.082209 (E_RNA)
where:
Base-Base interactions energy: -825.458
where: short stacking energy: -317.117
Base-Backbone interact. energy: 0.120
local terms energy: -368.745047
where:
bonds (distance) C4'-P energy: -62.436
bonds (distance) P-C4' energy: -87.506
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -54.618
tors. eta vs tors. theta energy: -84.661
Dist. restrs. and SS energy: -201.600 (S_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: 75
Temperature: 1.000000
Total energy: -1342.616736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.616736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.616736 (E_RNA)
where:
Base-Base interactions energy: -782.702
where: short stacking energy: -335.792
Base-Backbone interact. energy: -0.261
local terms energy: -361.653594
where:
bonds (distance) C4'-P energy: -66.717
bonds (distance) P-C4' energy: -79.543
flat angles C4'-P-C4' energy: -71.365
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: -86.205
Dist. restrs. and SS energy: -198.000 (S_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: 75
Temperature: 1.050000
Total energy: -1256.706049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.706049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.706049 (E_RNA)
where:
Base-Base interactions energy: -713.866
where: short stacking energy: -303.984
Base-Backbone interact. energy: -0.819
local terms energy: -335.021043
where:
bonds (distance) C4'-P energy: -71.527
bonds (distance) P-C4' energy: -72.640
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -69.818
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1255.622731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.622731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.222731 (E_RNA)
where:
Base-Base interactions energy: -748.570
where: short stacking energy: -296.784
Base-Backbone interact. energy: -0.297
local terms energy: -312.355321
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -67.514
flat angles C4'-P-C4' energy: -70.540
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -70.011
Dist. restrs. and SS energy: -194.400 (S_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: -1128.618863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.618863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.818863 (E_RNA)
where:
Base-Base interactions energy: -676.744
where: short stacking energy: -263.579
Base-Backbone interact. energy: 3.058
local terms energy: -291.132876
where:
bonds (distance) C4'-P energy: -46.140
bonds (distance) P-C4' energy: -78.036
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -48.910
tors. eta vs tors. theta energy: -50.554
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1179.353356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.353356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.153356 (E_RNA)
where:
Base-Base interactions energy: -711.228
where: short stacking energy: -283.469
Base-Backbone interact. energy: -2.135
local terms energy: -287.790709
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -65.041
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -45.747
tors. eta vs tors. theta energy: -63.966
Dist. restrs. and SS energy: -178.200 (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: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -969.588992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.588992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.388992 (E_RNA)
where:
Base-Base interactions energy: -561.852
where: short stacking energy: -226.888
Base-Backbone interact. energy: -3.638
local terms energy: -270.898658
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -71.265
flat angles C4'-P-C4' energy: -72.422
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -45.956
Dist. restrs. and SS energy: -133.200 (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: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -965.658923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.658923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.258923 (E_RNA)
where:
Base-Base interactions energy: -535.030
where: short stacking energy: -222.443
Base-Backbone interact. energy: 0.089
local terms energy: -263.318020
where:
bonds (distance) C4'-P energy: -57.501
bonds (distance) P-C4' energy: -60.156
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -46.140
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -932.280682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.280682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.280682 (E_RNA)
where:
Base-Base interactions energy: -537.657
where: short stacking energy: -234.059
Base-Backbone interact. energy: -0.262
local terms energy: -232.361861
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -53.038
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -53.580
Dist. restrs. and SS energy: -162.000 (S_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: 76
Temperature: 0.900000
Total energy: -1430.804310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.804310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.004310 (E_RNA)
where:
Base-Base interactions energy: -861.125
where: short stacking energy: -365.434
Base-Backbone interact. energy: -0.876
local terms energy: -369.003930
where:
bonds (distance) C4'-P energy: -62.150
bonds (distance) P-C4' energy: -68.793
flat angles C4'-P-C4' energy: -87.081
flat angles P-C4'-P energy: -53.560
tors. eta vs tors. theta energy: -97.419
Dist. restrs. and SS energy: -199.800 (S_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: -1404.277232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.277232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.077232 (E_RNA)
where:
Base-Base interactions energy: -843.779
where: short stacking energy: -348.102
Base-Backbone interact. energy: 0.004
local terms energy: -364.302250
where:
bonds (distance) C4'-P energy: -76.219
bonds (distance) P-C4' energy: -80.567
flat angles C4'-P-C4' energy: -80.704
flat angles P-C4'-P energy: -42.188
tors. eta vs tors. theta energy: -84.625
Dist. restrs. and SS energy: -196.200 (S_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: 76
Temperature: 1.000000
Total energy: -1348.378123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.378123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.978123 (E_RNA)
where:
Base-Base interactions energy: -793.835
where: short stacking energy: -305.287
Base-Backbone interact. energy: 3.092
local terms energy: -354.234646
where:
bonds (distance) C4'-P energy: -68.921
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -84.893
flat angles P-C4'-P energy: -52.822
tors. eta vs tors. theta energy: -80.912
Dist. restrs. and SS energy: -203.400 (S_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: -1220.025793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.025793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.625793 (E_RNA)
where:
Base-Base interactions energy: -696.420
where: short stacking energy: -298.941
Base-Backbone interact. energy: 0.162
local terms energy: -320.367455
where:
bonds (distance) C4'-P energy: -72.359
bonds (distance) P-C4' energy: -72.650
flat angles C4'-P-C4' energy: -64.924
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: -71.095
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1263.783993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.783993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.783993 (E_RNA)
where:
Base-Base interactions energy: -734.846
where: short stacking energy: -298.658
Base-Backbone interact. energy: -3.074
local terms energy: -336.863391
where:
bonds (distance) C4'-P energy: -65.806
bonds (distance) P-C4' energy: -72.456
flat angles C4'-P-C4' energy: -71.957
flat angles P-C4'-P energy: -47.282
tors. eta vs tors. theta energy: -79.363
Dist. restrs. and SS energy: -189.000 (S_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: -1176.149544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.149544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.949544 (E_RNA)
where:
Base-Base interactions energy: -696.852
where: short stacking energy: -287.038
Base-Backbone interact. energy: -2.010
local terms energy: -308.087171
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -66.438
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -48.292
tors. eta vs tors. theta energy: -73.186
Dist. restrs. and SS energy: -169.200 (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: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1153.103580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.103580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.303580 (E_RNA)
where:
Base-Base interactions energy: -676.592
where: short stacking energy: -277.884
Base-Backbone interact. energy: -1.108
local terms energy: -284.603744
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -58.768
flat angles C4'-P-C4' energy: -61.921
flat angles P-C4'-P energy: -44.752
tors. eta vs tors. theta energy: -67.043
Dist. restrs. and SS energy: -190.800 (S_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: 76
Temperature: 1.250000
Total energy: -964.943389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.943389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.343389 (E_RNA)
where:
Base-Base interactions energy: -534.345
where: short stacking energy: -213.520
Base-Backbone interact. energy: -0.876
local terms energy: -300.121886
where:
bonds (distance) C4'-P energy: -55.442
bonds (distance) P-C4' energy: -74.660
flat angles C4'-P-C4' energy: -74.631
flat angles P-C4'-P energy: -45.552
tors. eta vs tors. theta energy: -49.837
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. 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: -948.762660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.762660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.562660 (E_RNA)
where:
Base-Base interactions energy: -525.843
where: short stacking energy: -216.840
Base-Backbone interact. energy: -2.231
local terms energy: -251.488592
where:
bonds (distance) C4'-P energy: -54.149
bonds (distance) P-C4' energy: -62.336
flat angles C4'-P-C4' energy: -48.654
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -38.307
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -924.186726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.186726 (E_RNA)
where:
Base-Base interactions energy: -520.623
where: short stacking energy: -196.117
Base-Backbone interact. energy: 3.171
local terms energy: -244.734504
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -32.795
Dist. restrs. and SS energy: -162.000 (S_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: 77
Temperature: 0.900000
Total energy: -1416.188425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.188425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.188425 (E_RNA)
where:
Base-Base interactions energy: -835.506
where: short stacking energy: -354.441
Base-Backbone interact. energy: -2.886
local terms energy: -379.795712
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -76.281
flat angles C4'-P-C4' energy: -84.916
flat angles P-C4'-P energy: -53.892
tors. eta vs tors. theta energy: -94.648
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1381.679487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.679487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.679487 (E_RNA)
where:
Base-Base interactions energy: -829.833
where: short stacking energy: -329.295
Base-Backbone interact. energy: -3.616
local terms energy: -350.230947
where:
bonds (distance) C4'-P energy: -63.433
bonds (distance) P-C4' energy: -70.118
flat angles C4'-P-C4' energy: -72.552
flat angles P-C4'-P energy: -53.963
tors. eta vs tors. theta energy: -90.165
Dist. restrs. and SS energy: -198.000 (S_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: -1359.159222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.159222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.359222 (E_RNA)
where:
Base-Base interactions energy: -780.790
where: short stacking energy: -319.087
Base-Backbone interact. energy: 1.457
local terms energy: -380.026455
where:
bonds (distance) C4'-P energy: -72.533
bonds (distance) P-C4' energy: -79.238
flat angles C4'-P-C4' energy: -83.728
flat angles P-C4'-P energy: -57.031
tors. eta vs tors. theta energy: -87.496
Dist. restrs. and SS energy: -199.800 (S_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: 77
Temperature: 1.050000
Total energy: -1317.159563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.159563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.359563 (E_RNA)
where:
Base-Base interactions energy: -784.798
where: short stacking energy: -311.746
Base-Backbone interact. energy: -2.675
local terms energy: -338.886917
where:
bonds (distance) C4'-P energy: -66.649
bonds (distance) P-C4' energy: -72.511
flat angles C4'-P-C4' energy: -72.864
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -79.142
Dist. restrs. and SS energy: -190.800 (S_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: 77
Temperature: 1.100000
Total energy: -1241.169063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.169063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.169063 (E_RNA)
where:
Base-Base interactions energy: -711.217
where: short stacking energy: -297.881
Base-Backbone interact. energy: -2.574
local terms energy: -320.378298
where:
bonds (distance) C4'-P energy: -57.318
bonds (distance) P-C4' energy: -65.582
flat angles C4'-P-C4' energy: -78.649
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -73.085
Dist. restrs. and SS energy: -207.000 (S_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: 77
Temperature: 1.150000
Total energy: -1187.383136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.383136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.383136 (E_RNA)
where:
Base-Base interactions energy: -711.631
where: short stacking energy: -268.791
Base-Backbone interact. energy: -3.096
local terms energy: -283.655711
where:
bonds (distance) C4'-P energy: -51.409
bonds (distance) P-C4' energy: -62.106
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -44.560
tors. eta vs tors. theta energy: -54.453
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1134.131660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.131660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.931660 (E_RNA)
where:
Base-Base interactions energy: -670.393
where: short stacking energy: -230.767
Base-Backbone interact. energy: -0.638
local terms energy: -293.901173
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -58.110
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -40.036
tors. eta vs tors. theta energy: -66.827
Dist. restrs. and SS energy: -169.200 (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: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1006.621590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.621590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.621590 (E_RNA)
where:
Base-Base interactions energy: -550.802
where: short stacking energy: -226.241
Base-Backbone interact. energy: -2.758
local terms energy: -273.062018
where:
bonds (distance) C4'-P energy: -57.464
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -64.305
flat angles P-C4'-P energy: -39.527
tors. eta vs tors. theta energy: -53.177
Dist. restrs. and SS energy: -180.000 (S_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: 77
Temperature: 1.300000
Total energy: -972.426586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.426586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.426586 (E_RNA)
where:
Base-Base interactions energy: -552.055
where: short stacking energy: -228.166
Base-Backbone interact. energy: -1.316
local terms energy: -284.055144
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -71.255
flat angles C4'-P-C4' energy: -72.092
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -57.430
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -924.432402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.432402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.232402 (E_RNA)
where:
Base-Base interactions energy: -526.349
where: short stacking energy: -229.080
Base-Backbone interact. energy: 0.816
local terms energy: -238.699074
where:
bonds (distance) C4'-P energy: -42.798
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -62.090
flat angles P-C4'-P energy: -34.621
tors. eta vs tors. theta energy: -47.388
Dist. restrs. and SS energy: -160.200 (S_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: -1419.686775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.686775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.286775 (E_RNA)
where:
Base-Base interactions energy: -841.499
where: short stacking energy: -356.122
Base-Backbone interact. energy: -1.592
local terms energy: -373.195942
where:
bonds (distance) C4'-P energy: -69.345
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -88.946
flat angles P-C4'-P energy: -57.907
tors. eta vs tors. theta energy: -87.293
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1365.242256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.242256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.442256 (E_RNA)
where:
Base-Base interactions energy: -789.343
where: short stacking energy: -344.390
Base-Backbone interact. energy: -0.592
local terms energy: -375.507605
where:
bonds (distance) C4'-P energy: -73.627
bonds (distance) P-C4' energy: -73.852
flat angles C4'-P-C4' energy: -86.027
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -89.247
Dist. restrs. and SS energy: -199.800 (S_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: -1400.463385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.463385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.863385 (E_RNA)
where:
Base-Base interactions energy: -822.170
where: short stacking energy: -338.618
Base-Backbone interact. energy: -4.419
local terms energy: -372.274617
where:
bonds (distance) C4'-P energy: -73.619
bonds (distance) P-C4' energy: -75.920
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -98.940
Dist. restrs. and SS energy: -201.600 (S_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: 78
Temperature: 1.050000
Total energy: -1326.838227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.838227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.038227 (E_RNA)
where:
Base-Base interactions energy: -800.594
where: short stacking energy: -317.476
Base-Backbone interact. energy: -1.551
local terms energy: -333.892395
where:
bonds (distance) C4'-P energy: -64.731
bonds (distance) P-C4' energy: -65.958
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -87.018
Dist. restrs. and SS energy: -190.800 (S_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: 78
Temperature: 1.100000
Total energy: -1251.975712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.975712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.375712 (E_RNA)
where:
Base-Base interactions energy: -718.915
where: short stacking energy: -305.226
Base-Backbone interact. energy: -0.670
local terms energy: -330.790959
where:
bonds (distance) C4'-P energy: -74.143
bonds (distance) P-C4' energy: -68.750
flat angles C4'-P-C4' energy: -69.745
flat angles P-C4'-P energy: -38.461
tors. eta vs tors. theta energy: -79.692
Dist. restrs. and SS energy: -201.600 (S_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: 78
Temperature: 1.150000
Total energy: -1180.933653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.933653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.133653 (E_RNA)
where:
Base-Base interactions energy: -687.869
where: short stacking energy: -272.415
Base-Backbone interact. energy: -2.558
local terms energy: -299.706530
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -62.971
flat angles C4'-P-C4' energy: -80.224
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -65.361
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1153.051685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.051685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.251685 (E_RNA)
where:
Base-Base interactions energy: -668.521
where: short stacking energy: -258.128
Base-Backbone interact. energy: -1.656
local terms energy: -310.073917
where:
bonds (distance) C4'-P energy: -48.122
bonds (distance) P-C4' energy: -73.021
flat angles C4'-P-C4' energy: -74.788
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -66.438
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -974.723031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.723031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.723031 (E_RNA)
where:
Base-Base interactions energy: -520.449
where: short stacking energy: -221.571
Base-Backbone interact. energy: 2.168
local terms energy: -285.441586
where:
bonds (distance) C4'-P energy: -71.958
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: -45.634
Dist. restrs. and SS energy: -171.000 (S_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: 78
Temperature: 1.300000
Total energy: -964.343685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.343685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.543685 (E_RNA)
where:
Base-Base interactions energy: -562.508
where: short stacking energy: -252.215
Base-Backbone interact. energy: 2.088
local terms energy: -276.123237
where:
bonds (distance) C4'-P energy: -41.785
bonds (distance) P-C4' energy: -70.679
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -49.329
tors. eta vs tors. theta energy: -49.151
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -924.741136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.741136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.541136 (E_RNA)
where:
Base-Base interactions energy: -518.017
where: short stacking energy: -215.586
Base-Backbone interact. energy: -2.193
local terms energy: -244.331093
where:
bonds (distance) C4'-P energy: -53.710
bonds (distance) P-C4' energy: -55.651
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -48.733
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: -160.200 (S_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: -1405.532560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.532560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.132560 (E_RNA)
where:
Base-Base interactions energy: -833.789
where: short stacking energy: -352.318
Base-Backbone interact. energy: -0.038
local terms energy: -368.306077
where:
bonds (distance) C4'-P energy: -67.117
bonds (distance) P-C4' energy: -67.405
flat angles C4'-P-C4' energy: -88.325
flat angles P-C4'-P energy: -55.490
tors. eta vs tors. theta energy: -89.969
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1395.705126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.705126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.105126 (E_RNA)
where:
Base-Base interactions energy: -827.150
where: short stacking energy: -342.142
Base-Backbone interact. energy: -0.271
local terms energy: -366.684060
where:
bonds (distance) C4'-P energy: -63.343
bonds (distance) P-C4' energy: -74.356
flat angles C4'-P-C4' energy: -80.652
flat angles P-C4'-P energy: -56.962
tors. eta vs tors. theta energy: -91.371
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1338.802877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.802877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.002877 (E_RNA)
where:
Base-Base interactions energy: -783.044
where: short stacking energy: -331.813
Base-Backbone interact. energy: 0.288
local terms energy: -356.246248
where:
bonds (distance) C4'-P energy: -73.674
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -69.885
flat angles P-C4'-P energy: -62.634
tors. eta vs tors. theta energy: -76.227
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1317.038805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.038805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.038805 (E_RNA)
where:
Base-Base interactions energy: -781.386
where: short stacking energy: -316.681
Base-Backbone interact. energy: -4.007
local terms energy: -342.645516
where:
bonds (distance) C4'-P energy: -66.981
bonds (distance) P-C4' energy: -62.387
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -50.127
tors. eta vs tors. theta energy: -84.375
Dist. restrs. and SS energy: -189.000 (S_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: -1239.728797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.728797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.528797 (E_RNA)
where:
Base-Base interactions energy: -703.487
where: short stacking energy: -284.414
Base-Backbone interact. energy: -1.909
local terms energy: -329.132884
where:
bonds (distance) C4'-P energy: -68.758
bonds (distance) P-C4' energy: -75.852
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -38.796
tors. eta vs tors. theta energy: -81.237
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1191.693774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.693774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.693774 (E_RNA)
where:
Base-Base interactions energy: -689.881
where: short stacking energy: -280.767
Base-Backbone interact. energy: -1.763
local terms energy: -320.050186
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -67.358
flat angles C4'-P-C4' energy: -89.280
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -70.101
Dist. restrs. and SS energy: -180.000 (S_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: -1111.839499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.839499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.039499 (E_RNA)
where:
Base-Base interactions energy: -649.015
where: short stacking energy: -253.280
Base-Backbone interact. energy: 0.906
local terms energy: -290.930833
where:
bonds (distance) C4'-P energy: -68.182
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -65.543
flat angles P-C4'-P energy: -30.454
tors. eta vs tors. theta energy: -69.087
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -960.972115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.972115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.972115 (E_RNA)
where:
Base-Base interactions energy: -538.383
where: short stacking energy: -217.974
Base-Backbone interact. energy: 6.138
local terms energy: -257.727472
where:
bonds (distance) C4'-P energy: -55.457
bonds (distance) P-C4' energy: -63.563
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -34.250
Dist. restrs. and SS energy: -171.000 (S_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: 79
Temperature: 1.300000
Total energy: -932.037387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.037387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.037387 (E_RNA)
where:
Base-Base interactions energy: -534.773
where: short stacking energy: -222.945
Base-Backbone interact. energy: -1.706
local terms energy: -269.558960
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -40.855
tors. eta vs tors. theta energy: -57.123
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -912.974236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.974236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.174236 (E_RNA)
where:
Base-Base interactions energy: -481.673
where: short stacking energy: -191.126
Base-Backbone interact. energy: -0.395
local terms energy: -267.106258
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -68.383
flat angles C4'-P-C4' energy: -67.898
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -30.823
Dist. restrs. and SS energy: -163.800 (S_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: 80
Temperature: 0.900000
Total energy: -1416.440215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.440215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.840215 (E_RNA)
where:
Base-Base interactions energy: -843.362
where: short stacking energy: -337.078
Base-Backbone interact. energy: -3.531
local terms energy: -367.947767
where:
bonds (distance) C4'-P energy: -61.229
bonds (distance) P-C4' energy: -79.758
flat angles C4'-P-C4' energy: -81.569
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -87.690
Dist. restrs. and SS energy: -201.600 (S_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: -1376.893569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.893569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.893569 (E_RNA)
where:
Base-Base interactions energy: -828.138
where: short stacking energy: -336.439
Base-Backbone interact. energy: -2.128
local terms energy: -348.627562
where:
bonds (distance) C4'-P energy: -75.376
bonds (distance) P-C4' energy: -65.820
flat angles C4'-P-C4' energy: -81.544
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -89.116
Dist. restrs. and SS energy: -198.000 (S_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: 80
Temperature: 1.000000
Total energy: -1337.591682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.591682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.191682 (E_RNA)
where:
Base-Base interactions energy: -813.095
where: short stacking energy: -319.091
Base-Backbone interact. energy: -0.393
local terms energy: -329.703636
where:
bonds (distance) C4'-P energy: -59.028
bonds (distance) P-C4' energy: -71.698
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -85.903
Dist. restrs. and SS energy: -194.400 (S_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: 80
Temperature: 1.050000
Total energy: -1293.437597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.437597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.837597 (E_RNA)
where:
Base-Base interactions energy: -751.332
where: short stacking energy: -303.675
Base-Backbone interact. energy: -2.797
local terms energy: -337.708302
where:
bonds (distance) C4'-P energy: -67.771
bonds (distance) P-C4' energy: -67.517
flat angles C4'-P-C4' energy: -80.942
flat angles P-C4'-P energy: -47.609
tors. eta vs tors. theta energy: -73.869
Dist. restrs. and SS energy: -201.600 (S_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: 80
Temperature: 1.100000
Total energy: -1251.803840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.803840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.803840 (E_RNA)
where:
Base-Base interactions energy: -708.298
where: short stacking energy: -283.662
Base-Backbone interact. energy: -1.013
local terms energy: -344.493739
where:
bonds (distance) C4'-P energy: -70.193
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -72.590
flat angles P-C4'-P energy: -53.346
tors. eta vs tors. theta energy: -80.803
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1191.938255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.938255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.938255 (E_RNA)
where:
Base-Base interactions energy: -715.075
where: short stacking energy: -269.725
Base-Backbone interact. energy: -1.781
local terms energy: -286.082681
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -71.071
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -55.327
Dist. restrs. and SS energy: -189.000 (S_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: -1117.021064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.021064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.021064 (E_RNA)
where:
Base-Base interactions energy: -673.281
where: short stacking energy: -252.672
Base-Backbone interact. energy: -3.267
local terms energy: -269.473403
where:
bonds (distance) C4'-P energy: -53.949
bonds (distance) P-C4' energy: -65.264
flat angles C4'-P-C4' energy: -68.600
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -52.542
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -973.773968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.773968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.573968 (E_RNA)
where:
Base-Base interactions energy: -546.010
where: short stacking energy: -229.769
Base-Backbone interact. energy: -2.226
local terms energy: -256.337688
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -55.668
flat angles P-C4'-P energy: -42.037
tors. eta vs tors. theta energy: -43.729
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -913.710775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.710775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.510775 (E_RNA)
where:
Base-Base interactions energy: -498.349
where: short stacking energy: -197.971
Base-Backbone interact. energy: -0.416
local terms energy: -254.745422
where:
bonds (distance) C4'-P energy: -61.429
bonds (distance) P-C4' energy: -66.629
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -33.184
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -932.075087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.075087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.075087 (E_RNA)
where:
Base-Base interactions energy: -537.200
where: short stacking energy: -219.988
Base-Backbone interact. energy: -1.445
local terms energy: -267.429929
where:
bonds (distance) C4'-P energy: -62.154
bonds (distance) P-C4' energy: -68.079
flat angles C4'-P-C4' energy: -63.105
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -46.453
Dist. restrs. and SS energy: -126.000 (S_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: 81
Temperature: 0.900000
Total energy: -1449.541471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.541471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.741471 (E_RNA)
where:
Base-Base interactions energy: -880.029
where: short stacking energy: -375.421
Base-Backbone interact. energy: -1.063
local terms energy: -368.648964
where:
bonds (distance) C4'-P energy: -70.515
bonds (distance) P-C4' energy: -68.443
flat angles C4'-P-C4' energy: -80.177
flat angles P-C4'-P energy: -53.644
tors. eta vs tors. theta energy: -95.870
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1381.834322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.834322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.034322 (E_RNA)
where:
Base-Base interactions energy: -844.636
where: short stacking energy: -339.125
Base-Backbone interact. energy: 2.723
local terms energy: -340.120979
where:
bonds (distance) C4'-P energy: -73.050
bonds (distance) P-C4' energy: -69.226
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: -199.800 (S_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: 81
Temperature: 1.000000
Total energy: -1353.659145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.659145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.259145 (E_RNA)
where:
Base-Base interactions energy: -810.092
where: short stacking energy: -330.537
Base-Backbone interact. energy: -2.158
local terms energy: -347.009472
where:
bonds (distance) C4'-P energy: -74.878
bonds (distance) P-C4' energy: -60.599
flat angles C4'-P-C4' energy: -68.054
flat angles P-C4'-P energy: -58.773
tors. eta vs tors. theta energy: -84.705
Dist. restrs. and SS energy: -194.400 (S_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: 81
Temperature: 1.050000
Total energy: -1300.301486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.301486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.301486 (E_RNA)
where:
Base-Base interactions energy: -754.257
where: short stacking energy: -329.693
Base-Backbone interact. energy: -3.341
local terms energy: -344.703101
where:
bonds (distance) C4'-P energy: -67.665
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -80.338
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -84.224
Dist. restrs. and SS energy: -198.000 (S_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: 81
Temperature: 1.100000
Total energy: -1225.327063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.327063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.327063 (E_RNA)
where:
Base-Base interactions energy: -694.381
where: short stacking energy: -293.400
Base-Backbone interact. energy: -1.812
local terms energy: -322.133501
where:
bonds (distance) C4'-P energy: -61.398
bonds (distance) P-C4' energy: -62.431
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -72.399
Dist. restrs. and SS energy: -207.000 (S_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: 81
Temperature: 1.150000
Total energy: -1159.602741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.602741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.602741 (E_RNA)
where:
Base-Base interactions energy: -659.226
where: short stacking energy: -267.780
Base-Backbone interact. energy: -1.005
local terms energy: -310.371774
where:
bonds (distance) C4'-P energy: -64.935
bonds (distance) P-C4' energy: -68.172
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -61.777
Dist. restrs. and SS energy: -189.000 (S_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: 81
Temperature: 1.200000
Total energy: -1100.641248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.641248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.241248 (E_RNA)
where:
Base-Base interactions energy: -644.479
where: short stacking energy: -253.070
Base-Backbone interact. energy: -2.798
local terms energy: -285.964638
where:
bonds (distance) C4'-P energy: -60.830
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -69.792
flat angles P-C4'-P energy: -42.944
tors. eta vs tors. theta energy: -57.307
Dist. restrs. and SS energy: -167.400 (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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1005.861588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.861588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.061588 (E_RNA)
where:
Base-Base interactions energy: -546.264
where: short stacking energy: -226.260
Base-Backbone interact. energy: -1.406
local terms energy: -285.392024
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -75.755
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -54.693
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -948.361800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.361800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.961800 (E_RNA)
where:
Base-Base interactions energy: -524.757
where: short stacking energy: -204.640
Base-Backbone interact. energy: -0.296
local terms energy: -264.908987
where:
bonds (distance) C4'-P energy: -65.144
bonds (distance) P-C4' energy: -69.707
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -31.247
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: -158.400 (S_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: 81
Temperature: 1.350000
Total energy: -873.871949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.871949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.071949 (E_RNA)
where:
Base-Base interactions energy: -502.190
where: short stacking energy: -205.703
Base-Backbone interact. energy: -2.165
local terms energy: -241.717243
where:
bonds (distance) C4'-P energy: -50.540
bonds (distance) P-C4' energy: -52.141
flat angles C4'-P-C4' energy: -69.693
flat angles P-C4'-P energy: -33.219
tors. eta vs tors. theta energy: -36.124
Dist. restrs. and SS energy: -127.800 (S_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: 82
Temperature: 0.900000
Total energy: -1437.108790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.108790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.308790 (E_RNA)
where:
Base-Base interactions energy: -871.989
where: short stacking energy: -336.207
Base-Backbone interact. energy: -4.723
local terms energy: -360.597116
where:
bonds (distance) C4'-P energy: -72.799
bonds (distance) P-C4' energy: -71.323
flat angles C4'-P-C4' energy: -74.868
flat angles P-C4'-P energy: -51.976
tors. eta vs tors. theta energy: -89.632
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1390.085354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.085354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.085354 (E_RNA)
where:
Base-Base interactions energy: -822.300
where: short stacking energy: -345.511
Base-Backbone interact. energy: -0.144
local terms energy: -369.641662
where:
bonds (distance) C4'-P energy: -73.970
bonds (distance) P-C4' energy: -71.962
flat angles C4'-P-C4' energy: -81.809
flat angles P-C4'-P energy: -51.792
tors. eta vs tors. theta energy: -90.109
Dist. restrs. and SS energy: -198.000 (S_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: 82
Temperature: 1.000000
Total energy: -1335.888622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.888622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.488622 (E_RNA)
where:
Base-Base interactions energy: -796.197
where: short stacking energy: -304.711
Base-Backbone interact. energy: -3.029
local terms energy: -342.262380
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -71.853
flat angles C4'-P-C4' energy: -67.637
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -85.704
Dist. restrs. and SS energy: -194.400 (S_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: 82
Temperature: 1.050000
Total energy: -1295.120217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.120217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.920217 (E_RNA)
where:
Base-Base interactions energy: -761.295
where: short stacking energy: -328.323
Base-Backbone interact. energy: 2.202
local terms energy: -339.827750
where:
bonds (distance) C4'-P energy: -64.527
bonds (distance) P-C4' energy: -71.687
flat angles C4'-P-C4' energy: -69.989
flat angles P-C4'-P energy: -46.615
tors. eta vs tors. theta energy: -87.010
Dist. restrs. and SS energy: -196.200 (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: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1254.003026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.003026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.203026 (E_RNA)
where:
Base-Base interactions energy: -723.568
where: short stacking energy: -318.448
Base-Backbone interact. energy: -3.413
local terms energy: -318.222551
where:
bonds (distance) C4'-P energy: -56.789
bonds (distance) P-C4' energy: -70.613
flat angles C4'-P-C4' energy: -72.479
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -80.487
Dist. restrs. and SS energy: -208.800 (S_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: 82
Temperature: 1.150000
Total energy: -1141.051392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.051392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.251392 (E_RNA)
where:
Base-Base interactions energy: -642.338
where: short stacking energy: -281.797
Base-Backbone interact. energy: -4.879
local terms energy: -312.034185
where:
bonds (distance) C4'-P energy: -69.146
bonds (distance) P-C4' energy: -75.928
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -68.131
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1099.825966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.825966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.025966 (E_RNA)
where:
Base-Base interactions energy: -644.525
where: short stacking energy: -251.291
Base-Backbone interact. energy: 2.748
local terms energy: -285.248988
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -72.263
flat angles P-C4'-P energy: -36.495
tors. eta vs tors. theta energy: -49.402
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. 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: -1036.749310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.749310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.949310 (E_RNA)
where:
Base-Base interactions energy: -586.080
where: short stacking energy: -246.558
Base-Backbone interact. energy: -1.043
local terms energy: -276.826376
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -66.894
flat angles P-C4'-P energy: -41.431
tors. eta vs tors. theta energy: -52.505
Dist. restrs. and SS energy: -172.800 (S_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: 82
Temperature: 1.300000
Total energy: -912.497906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.497906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.497906 (E_RNA)
where:
Base-Base interactions energy: -499.014
where: short stacking energy: -191.722
Base-Backbone interact. energy: 4.401
local terms energy: -291.885226
where:
bonds (distance) C4'-P energy: -67.877
bonds (distance) P-C4' energy: -69.046
flat angles C4'-P-C4' energy: -63.915
flat angles P-C4'-P energy: -49.867
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -938.547906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.547906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.547906 (E_RNA)
where:
Base-Base interactions energy: -521.932
where: short stacking energy: -229.203
Base-Backbone interact. energy: -1.868
local terms energy: -252.747715
where:
bonds (distance) C4'-P energy: -66.255
bonds (distance) P-C4' energy: -47.163
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -31.076
tors. eta vs tors. theta energy: -52.765
Dist. restrs. and SS energy: -162.000 (S_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: 83
Temperature: 0.900000
Total energy: -1434.794985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.794985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.794985 (E_RNA)
where:
Base-Base interactions energy: -869.727
where: short stacking energy: -366.628
Base-Backbone interact. energy: -1.865
local terms energy: -365.203489
where:
bonds (distance) C4'-P energy: -68.570
bonds (distance) P-C4' energy: -68.610
flat angles C4'-P-C4' energy: -82.559
flat angles P-C4'-P energy: -45.084
tors. eta vs tors. theta energy: -100.380
Dist. restrs. and SS energy: -198.000 (S_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: -1373.091646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.091646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.691646 (E_RNA)
where:
Base-Base interactions energy: -803.622
where: short stacking energy: -336.835
Base-Backbone interact. energy: -1.803
local terms energy: -364.267505
where:
bonds (distance) C4'-P energy: -69.058
bonds (distance) P-C4' energy: -74.752
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -59.659
tors. eta vs tors. theta energy: -85.025
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1344.280137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.280137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.680137 (E_RNA)
where:
Base-Base interactions energy: -800.071
where: short stacking energy: -314.844
Base-Backbone interact. energy: -0.760
local terms energy: -350.849578
where:
bonds (distance) C4'-P energy: -71.504
bonds (distance) P-C4' energy: -62.129
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -47.899
tors. eta vs tors. theta energy: -87.937
Dist. restrs. and SS energy: -192.600 (S_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: 83
Temperature: 1.050000
Total energy: -1284.943394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.943394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.743394 (E_RNA)
where:
Base-Base interactions energy: -732.673
where: short stacking energy: -320.107
Base-Backbone interact. energy: -0.199
local terms energy: -346.871799
where:
bonds (distance) C4'-P energy: -64.143
bonds (distance) P-C4' energy: -68.402
flat angles C4'-P-C4' energy: -71.577
flat angles P-C4'-P energy: -53.944
tors. eta vs tors. theta energy: -88.807
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1243.473871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.473871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.073871 (E_RNA)
where:
Base-Base interactions energy: -712.621
where: short stacking energy: -277.477
Base-Backbone interact. energy: -0.568
local terms energy: -326.885290
where:
bonds (distance) C4'-P energy: -66.477
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -71.716
flat angles P-C4'-P energy: -49.046
tors. eta vs tors. theta energy: -69.501
Dist. restrs. and SS energy: -203.400 (S_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: 83
Temperature: 1.150000
Total energy: -1137.763319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.763319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.563319 (E_RNA)
where:
Base-Base interactions energy: -679.694
where: short stacking energy: -270.810
Base-Backbone interact. energy: 3.882
local terms energy: -292.751495
where:
bonds (distance) C4'-P energy: -59.585
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -72.668
flat angles P-C4'-P energy: -46.365
tors. eta vs tors. theta energy: -51.848
Dist. restrs. and SS energy: -169.200 (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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1132.300717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.300717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.300717 (E_RNA)
where:
Base-Base interactions energy: -632.189
where: short stacking energy: -260.521
Base-Backbone interact. energy: 2.754
local terms energy: -313.866298
where:
bonds (distance) C4'-P energy: -56.905
bonds (distance) P-C4' energy: -72.881
flat angles C4'-P-C4' energy: -68.768
flat angles P-C4'-P energy: -51.437
tors. eta vs tors. theta energy: -63.876
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -990.600288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.600288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.400288 (E_RNA)
where:
Base-Base interactions energy: -550.479
where: short stacking energy: -230.699
Base-Backbone interact. energy: -0.576
local terms energy: -270.345448
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -57.739
flat angles C4'-P-C4' energy: -67.058
flat angles P-C4'-P energy: -42.293
tors. eta vs tors. theta energy: -51.395
Dist. restrs. and SS energy: -169.200 (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: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -905.181007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.181007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.181007 (E_RNA)
where:
Base-Base interactions energy: -511.034
where: short stacking energy: -210.821
Base-Backbone interact. energy: 0.309
local terms energy: -268.456069
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -59.471
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -50.724
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -919.756450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.756450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.756450 (E_RNA)
where:
Base-Base interactions energy: -505.655
where: short stacking energy: -203.389
Base-Backbone interact. energy: 2.895
local terms energy: -254.996594
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -67.604
flat angles C4'-P-C4' energy: -57.814
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -32.086
Dist. restrs. and SS energy: -162.000 (S_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: 84
Temperature: 0.900000
Total energy: -1430.847004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.847004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.047004 (E_RNA)
where:
Base-Base interactions energy: -846.351
where: short stacking energy: -354.543
Base-Backbone interact. energy: -3.380
local terms energy: -381.316684
where:
bonds (distance) C4'-P energy: -77.397
bonds (distance) P-C4' energy: -77.106
flat angles C4'-P-C4' energy: -82.753
flat angles P-C4'-P energy: -51.585
tors. eta vs tors. theta energy: -92.476
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1356.097580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.097580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.497580 (E_RNA)
where:
Base-Base interactions energy: -802.172
where: short stacking energy: -316.556
Base-Backbone interact. energy: -0.985
local terms energy: -351.340646
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -77.151
flat angles C4'-P-C4' energy: -76.695
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -87.995
Dist. restrs. and SS energy: -201.600 (S_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: 84
Temperature: 1.000000
Total energy: -1338.987885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.387885 (E_RNA)
where:
Base-Base interactions energy: -789.749
where: short stacking energy: -303.877
Base-Backbone interact. energy: -2.451
local terms energy: -354.188220
where:
bonds (distance) C4'-P energy: -60.867
bonds (distance) P-C4' energy: -71.348
flat angles C4'-P-C4' energy: -78.656
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -90.136
Dist. restrs. and SS energy: -192.600 (S_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: 84
Temperature: 1.050000
Total energy: -1253.850929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.850929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.850929 (E_RNA)
where:
Base-Base interactions energy: -730.979
where: short stacking energy: -304.741
Base-Backbone interact. energy: -0.081
local terms energy: -315.791053
where:
bonds (distance) C4'-P energy: -56.332
bonds (distance) P-C4' energy: -70.104
flat angles C4'-P-C4' energy: -78.410
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -70.234
Dist. restrs. and SS energy: -207.000 (S_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: 84
Temperature: 1.100000
Total energy: -1262.254639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.254639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.454639 (E_RNA)
where:
Base-Base interactions energy: -743.079
where: short stacking energy: -307.088
Base-Backbone interact. energy: -1.613
local terms energy: -317.763121
where:
bonds (distance) C4'-P energy: -58.890
bonds (distance) P-C4' energy: -68.725
flat angles C4'-P-C4' energy: -74.457
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -69.517
Dist. restrs. and SS energy: -199.800 (S_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: 84
Temperature: 1.150000
Total energy: -1142.235460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.235460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.235460 (E_RNA)
where:
Base-Base interactions energy: -688.581
where: short stacking energy: -255.035
Base-Backbone interact. energy: 1.544
local terms energy: -284.198187
where:
bonds (distance) C4'-P energy: -45.053
bonds (distance) P-C4' energy: -70.423
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -54.122
tors. eta vs tors. theta energy: -50.661
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1108.947639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.947639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.347639 (E_RNA)
where:
Base-Base interactions energy: -623.029
where: short stacking energy: -252.999
Base-Backbone interact. energy: -0.074
local terms energy: -293.245402
where:
bonds (distance) C4'-P energy: -55.989
bonds (distance) P-C4' energy: -59.931
flat angles C4'-P-C4' energy: -73.976
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -63.017
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1010.287425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.287425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.287425 (E_RNA)
where:
Base-Base interactions energy: -571.746
where: short stacking energy: -243.885
Base-Backbone interact. energy: 0.336
local terms energy: -267.877614
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -67.763
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -51.464
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -952.059631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.059631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.059631 (E_RNA)
where:
Base-Base interactions energy: -540.895
where: short stacking energy: -224.491
Base-Backbone interact. energy: 1.800
local terms energy: -250.965345
where:
bonds (distance) C4'-P energy: -58.929
bonds (distance) P-C4' energy: -63.192
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -51.705
Dist. restrs. and SS energy: -162.000 (S_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: 84
Temperature: 1.350000
Total energy: -880.097421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.097421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.097421 (E_RNA)
where:
Base-Base interactions energy: -487.616
where: short stacking energy: -195.837
Base-Backbone interact. energy: -1.416
local terms energy: -265.065696
where:
bonds (distance) C4'-P energy: -65.645
bonds (distance) P-C4' energy: -75.888
flat angles C4'-P-C4' energy: -60.176
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: -126.000 (S_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: 85
Temperature: 0.900000
Total energy: -1434.983756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.983756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.383756 (E_RNA)
where:
Base-Base interactions energy: -865.981
where: short stacking energy: -355.560
Base-Backbone interact. energy: -0.961
local terms energy: -366.442411
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -80.189
flat angles P-C4'-P energy: -58.368
tors. eta vs tors. theta energy: -98.644
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1399.901317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.901317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.501317 (E_RNA)
where:
Base-Base interactions energy: -829.808
where: short stacking energy: -330.988
Base-Backbone interact. energy: -2.667
local terms energy: -364.027050
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -73.347
flat angles C4'-P-C4' energy: -82.638
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -87.983
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1369.131846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.131846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.131846 (E_RNA)
where:
Base-Base interactions energy: -825.536
where: short stacking energy: -326.326
Base-Backbone interact. energy: -1.028
local terms energy: -353.568254
where:
bonds (distance) C4'-P energy: -69.808
bonds (distance) P-C4' energy: -61.141
flat angles C4'-P-C4' energy: -72.218
flat angles P-C4'-P energy: -51.429
tors. eta vs tors. theta energy: -98.972
Dist. restrs. and SS energy: -189.000 (S_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: 85
Temperature: 1.050000
Total energy: -1306.672729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.672729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.672729 (E_RNA)
where:
Base-Base interactions energy: -746.276
where: short stacking energy: -326.245
Base-Backbone interact. energy: -2.478
local terms energy: -359.919283
where:
bonds (distance) C4'-P energy: -64.610
bonds (distance) P-C4' energy: -70.722
flat angles C4'-P-C4' energy: -84.132
flat angles P-C4'-P energy: -51.265
tors. eta vs tors. theta energy: -89.190
Dist. restrs. and SS energy: -198.000 (S_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: 85
Temperature: 1.100000
Total energy: -1250.878649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.878649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.278649 (E_RNA)
where:
Base-Base interactions energy: -749.668
where: short stacking energy: -302.845
Base-Backbone interact. energy: -2.770
local terms energy: -305.840746
where:
bonds (distance) C4'-P energy: -53.433
bonds (distance) P-C4' energy: -55.309
flat angles C4'-P-C4' energy: -72.129
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -78.664
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1191.147057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.147057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.147057 (E_RNA)
where:
Base-Base interactions energy: -668.552
where: short stacking energy: -290.273
Base-Backbone interact. energy: -0.834
local terms energy: -332.760771
where:
bonds (distance) C4'-P energy: -65.511
bonds (distance) P-C4' energy: -73.339
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -47.037
tors. eta vs tors. theta energy: -71.249
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1117.258623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.258623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.658623 (E_RNA)
where:
Base-Base interactions energy: -648.188
where: short stacking energy: -247.427
Base-Backbone interact. energy: 2.033
local terms energy: -296.504480
where:
bonds (distance) C4'-P energy: -59.242
bonds (distance) P-C4' energy: -73.123
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -55.865
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1002.097325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.097325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.897325 (E_RNA)
where:
Base-Base interactions energy: -573.856
where: short stacking energy: -230.615
Base-Backbone interact. energy: -1.032
local terms energy: -258.009989
where:
bonds (distance) C4'-P energy: -64.054
bonds (distance) P-C4' energy: -52.974
flat angles C4'-P-C4' energy: -55.007
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -55.054
Dist. restrs. and SS energy: -169.200 (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: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -967.981410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.981410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.181410 (E_RNA)
where:
Base-Base interactions energy: -524.939
where: short stacking energy: -220.459
Base-Backbone interact. energy: -0.824
local terms energy: -269.419141
where:
bonds (distance) C4'-P energy: -59.231
bonds (distance) P-C4' energy: -69.447
flat angles C4'-P-C4' energy: -48.378
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -54.355
Dist. restrs. and SS energy: -172.800 (S_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: 85
Temperature: 1.350000
Total energy: -854.806964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.806964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.206964 (E_RNA)
where:
Base-Base interactions energy: -484.969
where: short stacking energy: -180.520
Base-Backbone interact. energy: 0.374
local terms energy: -249.611962
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -59.143
flat angles C4'-P-C4' energy: -59.555
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: -120.600 (S_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: 86
Temperature: 0.900000
Total energy: -1431.935617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.935617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.935617 (E_RNA)
where:
Base-Base interactions energy: -864.097
where: short stacking energy: -350.929
Base-Backbone interact. energy: -0.392
local terms energy: -369.446573
where:
bonds (distance) C4'-P energy: -63.311
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -79.879
flat angles P-C4'-P energy: -54.081
tors. eta vs tors. theta energy: -96.946
Dist. restrs. and SS energy: -198.000 (S_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: 86
Temperature: 0.950000
Total energy: -1384.607037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.607037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.007037 (E_RNA)
where:
Base-Base interactions energy: -811.652
where: short stacking energy: -343.291
Base-Backbone interact. energy: -1.755
local terms energy: -369.600225
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -83.381
flat angles C4'-P-C4' energy: -83.211
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -92.596
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1302.057198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.057198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.057198 (E_RNA)
where:
Base-Base interactions energy: -724.165
where: short stacking energy: -322.611
Base-Backbone interact. energy: -3.461
local terms energy: -367.431668
where:
bonds (distance) C4'-P energy: -71.071
bonds (distance) P-C4' energy: -75.881
flat angles C4'-P-C4' energy: -71.741
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -95.570
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1350.145960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.145960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.145960 (E_RNA)
where:
Base-Base interactions energy: -823.425
where: short stacking energy: -317.474
Base-Backbone interact. energy: 2.165
local terms energy: -339.885692
where:
bonds (distance) C4'-P energy: -66.834
bonds (distance) P-C4' energy: -75.952
flat angles C4'-P-C4' energy: -63.380
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -91.158
Dist. restrs. and SS energy: -189.000 (S_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: -1272.061539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.061539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.261539 (E_RNA)
where:
Base-Base interactions energy: -750.635
where: short stacking energy: -296.543
Base-Backbone interact. energy: -2.638
local terms energy: -318.988406
where:
bonds (distance) C4'-P energy: -56.649
bonds (distance) P-C4' energy: -63.433
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -50.833
tors. eta vs tors. theta energy: -84.025
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1154.868164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.868164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.668164 (E_RNA)
where:
Base-Base interactions energy: -657.734
where: short stacking energy: -261.977
Base-Backbone interact. energy: 0.308
local terms energy: -301.242210
where:
bonds (distance) C4'-P energy: -69.095
bonds (distance) P-C4' energy: -47.951
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: -196.200 (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: 86
Temperature: 1.200000
Total energy: -1093.676246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.676246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.276246 (E_RNA)
where:
Base-Base interactions energy: -645.002
where: short stacking energy: -266.393
Base-Backbone interact. energy: 0.140
local terms energy: -281.414247
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -58.103
flat angles C4'-P-C4' energy: -68.949
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -56.792
Dist. restrs. and SS energy: -167.400 (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: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -998.772325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.772325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.172325 (E_RNA)
where:
Base-Base interactions energy: -570.088
where: short stacking energy: -236.995
Base-Backbone interact. energy: 1.713
local terms energy: -273.797448
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -54.056
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. 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: -1005.342553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.342553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.742553 (E_RNA)
where:
Base-Base interactions energy: -557.413
where: short stacking energy: -234.352
Base-Backbone interact. energy: -2.275
local terms energy: -271.054997
where:
bonds (distance) C4'-P energy: -57.483
bonds (distance) P-C4' energy: -61.585
flat angles C4'-P-C4' energy: -68.747
flat angles P-C4'-P energy: -35.978
tors. eta vs tors. theta energy: -47.262
Dist. restrs. and SS energy: -174.600 (S_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: -826.137095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.137095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.737095 (E_RNA)
where:
Base-Base interactions energy: -442.011
where: short stacking energy: -181.559
Base-Backbone interact. energy: -2.737
local terms energy: -258.989011
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -59.121
flat angles C4'-P-C4' energy: -70.333
flat angles P-C4'-P energy: -39.890
tors. eta vs tors. theta energy: -42.999
Dist. restrs. and SS energy: -122.400 (S_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: 87
Temperature: 0.900000
Total energy: -1436.108940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.108940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.508940 (E_RNA)
where:
Base-Base interactions energy: -861.557
where: short stacking energy: -341.610
Base-Backbone interact. energy: -3.185
local terms energy: -369.766755
where:
bonds (distance) C4'-P energy: -77.203
bonds (distance) P-C4' energy: -65.365
flat angles C4'-P-C4' energy: -80.335
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -99.399
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1360.047902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.047902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.847902 (E_RNA)
where:
Base-Base interactions energy: -797.169
where: short stacking energy: -336.730
Base-Backbone interact. energy: 0.832
local terms energy: -367.510609
where:
bonds (distance) C4'-P energy: -74.954
bonds (distance) P-C4' energy: -68.398
flat angles C4'-P-C4' energy: -83.254
flat angles P-C4'-P energy: -54.263
tors. eta vs tors. theta energy: -86.642
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1285.851184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.851184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.451184 (E_RNA)
where:
Base-Base interactions energy: -731.071
where: short stacking energy: -313.466
Base-Backbone interact. energy: -1.354
local terms energy: -350.026631
where:
bonds (distance) C4'-P energy: -70.208
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -53.843
tors. eta vs tors. theta energy: -78.335
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1340.849809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.849809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.449809 (E_RNA)
where:
Base-Base interactions energy: -812.533
where: short stacking energy: -321.504
Base-Backbone interact. energy: 0.873
local terms energy: -334.789752
where:
bonds (distance) C4'-P energy: -60.434
bonds (distance) P-C4' energy: -65.611
flat angles C4'-P-C4' energy: -75.266
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -89.242
Dist. restrs. and SS energy: -194.400 (S_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: -1242.498996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.498996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.898996 (E_RNA)
where:
Base-Base interactions energy: -717.798
where: short stacking energy: -283.435
Base-Backbone interact. energy: -2.197
local terms energy: -320.904031
where:
bonds (distance) C4'-P energy: -55.989
bonds (distance) P-C4' energy: -75.838
flat angles C4'-P-C4' energy: -69.945
flat angles P-C4'-P energy: -48.061
tors. eta vs tors. theta energy: -71.072
Dist. restrs. and SS energy: -201.600 (S_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: 87
Temperature: 1.150000
Total energy: -1132.320700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.320700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.320700 (E_RNA)
where:
Base-Base interactions energy: -664.708
where: short stacking energy: -257.539
Base-Backbone interact. energy: 4.935
local terms energy: -301.547713
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -74.803
flat angles C4'-P-C4' energy: -66.839
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -62.525
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1120.127849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.127849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.127849 (E_RNA)
where:
Base-Base interactions energy: -614.931
where: short stacking energy: -250.400
Base-Backbone interact. energy: -2.689
local terms energy: -313.507516
where:
bonds (distance) C4'-P energy: -59.394
bonds (distance) P-C4' energy: -58.156
flat angles C4'-P-C4' energy: -74.543
flat angles P-C4'-P energy: -53.547
tors. eta vs tors. theta energy: -67.867
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1030.231034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.231034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.431034 (E_RNA)
where:
Base-Base interactions energy: -600.340
where: short stacking energy: -248.972
Base-Backbone interact. energy: -2.924
local terms energy: -263.167061
where:
bonds (distance) C4'-P energy: -50.467
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -46.810
tors. eta vs tors. theta energy: -48.848
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -957.367733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.367733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.367733 (E_RNA)
where:
Base-Base interactions energy: -531.446
where: short stacking energy: -223.950
Base-Backbone interact. energy: 1.201
local terms energy: -256.123326
where:
bonds (distance) C4'-P energy: -69.227
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -37.676
tors. eta vs tors. theta energy: -43.624
Dist. restrs. and SS energy: -171.000 (S_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: -824.698663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.698663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.498663 (E_RNA)
where:
Base-Base interactions energy: -465.021
where: short stacking energy: -180.187
Base-Backbone interact. energy: -1.380
local terms energy: -234.097790
where:
bonds (distance) C4'-P energy: -61.844
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -40.495
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: -124.200 (S_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: 88
Temperature: 0.900000
Total energy: -1443.586046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.586046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.986046 (E_RNA)
where:
Base-Base interactions energy: -867.153
where: short stacking energy: -371.507
Base-Backbone interact. energy: -3.102
local terms energy: -371.731412
where:
bonds (distance) C4'-P energy: -64.622
bonds (distance) P-C4' energy: -68.979
flat angles C4'-P-C4' energy: -81.241
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -108.147
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1373.310720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.310720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.710720 (E_RNA)
where:
Base-Base interactions energy: -820.425
where: short stacking energy: -325.764
Base-Backbone interact. energy: -1.053
local terms energy: -350.232464
where:
bonds (distance) C4'-P energy: -71.705
bonds (distance) P-C4' energy: -70.226
flat angles C4'-P-C4' energy: -74.011
flat angles P-C4'-P energy: -46.773
tors. eta vs tors. theta energy: -87.517
Dist. restrs. and SS energy: -201.600 (S_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: 88
Temperature: 1.000000
Total energy: -1374.453244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.453244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.653244 (E_RNA)
where:
Base-Base interactions energy: -823.852
where: short stacking energy: -332.784
Base-Backbone interact. energy: -0.980
local terms energy: -358.821626
where:
bonds (distance) C4'-P energy: -70.386
bonds (distance) P-C4' energy: -68.241
flat angles C4'-P-C4' energy: -78.074
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -89.627
Dist. restrs. and SS energy: -190.800 (S_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: 88
Temperature: 1.050000
Total energy: -1285.225704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.225704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.625704 (E_RNA)
where:
Base-Base interactions energy: -740.400
where: short stacking energy: -316.007
Base-Backbone interact. energy: -0.806
local terms energy: -342.419681
where:
bonds (distance) C4'-P energy: -71.324
bonds (distance) P-C4' energy: -69.495
flat angles C4'-P-C4' energy: -79.552
flat angles P-C4'-P energy: -43.472
tors. eta vs tors. theta energy: -78.576
Dist. restrs. and SS energy: -201.600 (S_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: 88
Temperature: 1.100000
Total energy: -1251.139585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.139585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.539585 (E_RNA)
where:
Base-Base interactions energy: -727.018
where: short stacking energy: -287.006
Base-Backbone interact. energy: -1.377
local terms energy: -321.144534
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -75.761
flat angles C4'-P-C4' energy: -67.616
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -70.453
Dist. restrs. and SS energy: -201.600 (S_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: 88
Temperature: 1.150000
Total energy: -1153.205987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.205987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.005987 (E_RNA)
where:
Base-Base interactions energy: -685.179
where: short stacking energy: -255.940
Base-Backbone interact. energy: -0.574
local terms energy: -298.253337
where:
bonds (distance) C4'-P energy: -56.232
bonds (distance) P-C4' energy: -64.205
flat angles C4'-P-C4' energy: -65.753
flat angles P-C4'-P energy: -54.732
tors. eta vs tors. theta energy: -57.332
Dist. restrs. and SS energy: -169.200 (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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1161.230353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.230353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.430353 (E_RNA)
where:
Base-Base interactions energy: -652.944
where: short stacking energy: -270.227
Base-Backbone interact. energy: 0.111
local terms energy: -308.597439
where:
bonds (distance) C4'-P energy: -61.900
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -66.954
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -67.563
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1025.222235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.222235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.622235 (E_RNA)
where:
Base-Base interactions energy: -579.714
where: short stacking energy: -239.797
Base-Backbone interact. energy: 2.871
local terms energy: -291.778373
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -78.260
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -54.929
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -976.631071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.631071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.431071 (E_RNA)
where:
Base-Base interactions energy: -520.985
where: short stacking energy: -207.964
Base-Backbone interact. energy: -1.788
local terms energy: -284.657685
where:
bonds (distance) C4'-P energy: -59.004
bonds (distance) P-C4' energy: -64.980
flat angles C4'-P-C4' energy: -87.628
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: -169.200 (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: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -860.935778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.935778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.735778 (E_RNA)
where:
Base-Base interactions energy: -463.489
where: short stacking energy: -182.598
Base-Backbone interact. energy: 1.342
local terms energy: -265.588482
where:
bonds (distance) C4'-P energy: -63.206
bonds (distance) P-C4' energy: -63.476
flat angles C4'-P-C4' energy: -51.978
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -41.028
Dist. restrs. and SS energy: -133.200 (S_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: 89
Temperature: 0.900000
Total energy: -1432.910503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.910503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.110503 (E_RNA)
where:
Base-Base interactions energy: -837.711
where: short stacking energy: -360.985
Base-Backbone interact. energy: -3.029
local terms energy: -392.370242
where:
bonds (distance) C4'-P energy: -76.344
bonds (distance) P-C4' energy: -76.406
flat angles C4'-P-C4' energy: -84.365
flat angles P-C4'-P energy: -50.273
tors. eta vs tors. theta energy: -104.982
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1381.525897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.525897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.125897 (E_RNA)
where:
Base-Base interactions energy: -827.592
where: short stacking energy: -339.535
Base-Backbone interact. energy: -1.242
local terms energy: -358.291462
where:
bonds (distance) C4'-P energy: -77.053
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -74.941
flat angles P-C4'-P energy: -54.817
tors. eta vs tors. theta energy: -91.813
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1338.368390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.368390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.568390 (E_RNA)
where:
Base-Base interactions energy: -778.216
where: short stacking energy: -320.184
Base-Backbone interact. energy: 0.066
local terms energy: -360.418901
where:
bonds (distance) C4'-P energy: -69.857
bonds (distance) P-C4' energy: -74.357
flat angles C4'-P-C4' energy: -82.664
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -80.154
Dist. restrs. and SS energy: -199.800 (S_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: 89
Temperature: 1.050000
Total energy: -1284.624160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.624160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.424160 (E_RNA)
where:
Base-Base interactions energy: -745.465
where: short stacking energy: -304.021
Base-Backbone interact. energy: -2.764
local terms energy: -331.194605
where:
bonds (distance) C4'-P energy: -70.801
bonds (distance) P-C4' energy: -71.493
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -39.715
tors. eta vs tors. theta energy: -78.793
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1290.033812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.033812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.033812 (E_RNA)
where:
Base-Base interactions energy: -759.436
where: short stacking energy: -302.106
Base-Backbone interact. energy: -1.354
local terms energy: -331.244006
where:
bonds (distance) C4'-P energy: -65.960
bonds (distance) P-C4' energy: -67.428
flat angles C4'-P-C4' energy: -65.164
flat angles P-C4'-P energy: -47.318
tors. eta vs tors. theta energy: -85.375
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1178.194984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.194984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.394984 (E_RNA)
where:
Base-Base interactions energy: -690.594
where: short stacking energy: -284.028
Base-Backbone interact. energy: 2.341
local terms energy: -290.142350
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -44.183
tors. eta vs tors. theta energy: -65.259
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1114.701157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.701157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.701157 (E_RNA)
where:
Base-Base interactions energy: -648.674
where: short stacking energy: -254.089
Base-Backbone interact. energy: -3.722
local terms energy: -291.305346
where:
bonds (distance) C4'-P energy: -57.303
bonds (distance) P-C4' energy: -63.333
flat angles C4'-P-C4' energy: -64.863
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -52.262
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1016.813604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.813604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.213604 (E_RNA)
where:
Base-Base interactions energy: -565.248
where: short stacking energy: -222.158
Base-Backbone interact. energy: -1.359
local terms energy: -284.606594
where:
bonds (distance) C4'-P energy: -63.020
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1013.833729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.833729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.233729 (E_RNA)
where:
Base-Base interactions energy: -577.321
where: short stacking energy: -246.474
Base-Backbone interact. energy: 0.324
local terms energy: -280.236527
where:
bonds (distance) C4'-P energy: -61.439
bonds (distance) P-C4' energy: -69.755
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -46.508
Dist. restrs. and SS energy: -156.600 (S_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: 89
Temperature: 1.350000
Total energy: -885.427880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.427880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.427880 (E_RNA)
where:
Base-Base interactions energy: -502.074
where: short stacking energy: -199.450
Base-Backbone interact. energy: 2.314
local terms energy: -250.667919
where:
bonds (distance) C4'-P energy: -60.504
bonds (distance) P-C4' energy: -57.867
flat angles C4'-P-C4' energy: -55.727
flat angles P-C4'-P energy: -30.089
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: -135.000 (S_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: 90
Temperature: 0.900000
Total energy: -1426.551180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.551180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.951180 (E_RNA)
where:
Base-Base interactions energy: -824.697
where: short stacking energy: -367.234
Base-Backbone interact. energy: -5.285
local terms energy: -394.968998
where:
bonds (distance) C4'-P energy: -69.967
bonds (distance) P-C4' energy: -70.708
flat angles C4'-P-C4' energy: -79.969
flat angles P-C4'-P energy: -67.427
tors. eta vs tors. theta energy: -106.899
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1410.636413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.636413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.836413 (E_RNA)
where:
Base-Base interactions energy: -842.208
where: short stacking energy: -320.907
Base-Backbone interact. energy: -2.473
local terms energy: -375.155827
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -77.411
flat angles C4'-P-C4' energy: -74.523
flat angles P-C4'-P energy: -63.024
tors. eta vs tors. theta energy: -85.165
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1272.528864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.528864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.128864 (E_RNA)
where:
Base-Base interactions energy: -712.662
where: short stacking energy: -321.543
Base-Backbone interact. energy: -2.152
local terms energy: -354.315053
where:
bonds (distance) C4'-P energy: -71.654
bonds (distance) P-C4' energy: -76.214
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -42.293
tors. eta vs tors. theta energy: -89.488
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1291.571389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.571389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.571389 (E_RNA)
where:
Base-Base interactions energy: -759.159
where: short stacking energy: -305.792
Base-Backbone interact. energy: -1.657
local terms energy: -332.754513
where:
bonds (distance) C4'-P energy: -61.190
bonds (distance) P-C4' energy: -78.661
flat angles C4'-P-C4' energy: -75.356
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -64.785
Dist. restrs. and SS energy: -198.000 (S_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: -1284.655290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.655290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.655290 (E_RNA)
where:
Base-Base interactions energy: -733.009
where: short stacking energy: -292.288
Base-Backbone interact. energy: -2.114
local terms energy: -351.532906
where:
bonds (distance) C4'-P energy: -72.120
bonds (distance) P-C4' energy: -75.370
flat angles C4'-P-C4' energy: -78.169
flat angles P-C4'-P energy: -47.268
tors. eta vs tors. theta energy: -78.605
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1198.228162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.228162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.228162 (E_RNA)
where:
Base-Base interactions energy: -683.456
where: short stacking energy: -277.838
Base-Backbone interact. energy: 0.468
local terms energy: -317.240040
where:
bonds (distance) C4'-P energy: -60.460
bonds (distance) P-C4' energy: -65.892
flat angles C4'-P-C4' energy: -79.216
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: -67.606
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1122.767139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.767139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.967139 (E_RNA)
where:
Base-Base interactions energy: -668.410
where: short stacking energy: -246.842
Base-Backbone interact. energy: -1.661
local terms energy: -288.895720
where:
bonds (distance) C4'-P energy: -63.779
bonds (distance) P-C4' energy: -67.013
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -50.172
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1029.460394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.460394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.060394 (E_RNA)
where:
Base-Base interactions energy: -553.188
where: short stacking energy: -230.436
Base-Backbone interact. energy: -0.224
local terms energy: -308.648581
where:
bonds (distance) C4'-P energy: -69.315
bonds (distance) P-C4' energy: -64.017
flat angles C4'-P-C4' energy: -71.099
flat angles P-C4'-P energy: -44.527
tors. eta vs tors. theta energy: -59.691
Dist. restrs. and SS energy: -167.400 (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: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1016.949785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.949785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.949785 (E_RNA)
where:
Base-Base interactions energy: -583.756
where: short stacking energy: -238.848
Base-Backbone interact. energy: 0.867
local terms energy: -272.061097
where:
bonds (distance) C4'-P energy: -69.118
bonds (distance) P-C4' energy: -52.529
flat angles C4'-P-C4' energy: -70.168
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -42.224
Dist. restrs. and SS energy: -162.000 (S_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: 90
Temperature: 1.350000
Total energy: -894.138573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.138573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.938573 (E_RNA)
where:
Base-Base interactions energy: -518.370
where: short stacking energy: -211.493
Base-Backbone interact. energy: 0.225
local terms energy: -251.792825
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -49.112
Dist. restrs. and SS energy: -124.200 (S_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: 91
Temperature: 0.900000
Total energy: -1433.535715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.535715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.935715 (E_RNA)
where:
Base-Base interactions energy: -840.060
where: short stacking energy: -360.239
Base-Backbone interact. energy: -3.389
local terms energy: -388.487050
where:
bonds (distance) C4'-P energy: -75.558
bonds (distance) P-C4' energy: -67.240
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -100.921
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1393.530966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.530966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.130966 (E_RNA)
where:
Base-Base interactions energy: -836.959
where: short stacking energy: -336.037
Base-Backbone interact. energy: 2.690
local terms energy: -364.861047
where:
bonds (distance) C4'-P energy: -70.789
bonds (distance) P-C4' energy: -66.811
flat angles C4'-P-C4' energy: -74.087
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -93.115
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1305.082735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.082735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.082735 (E_RNA)
where:
Base-Base interactions energy: -749.795
where: short stacking energy: -327.832
Base-Backbone interact. energy: -2.785
local terms energy: -345.502526
where:
bonds (distance) C4'-P energy: -71.704
bonds (distance) P-C4' energy: -62.826
flat angles C4'-P-C4' energy: -78.575
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -87.338
Dist. restrs. and SS energy: -207.000 (S_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: -1270.994935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.994935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.194935 (E_RNA)
where:
Base-Base interactions energy: -726.029
where: short stacking energy: -297.271
Base-Backbone interact. energy: -1.486
local terms energy: -343.680183
where:
bonds (distance) C4'-P energy: -62.169
bonds (distance) P-C4' energy: -77.644
flat angles C4'-P-C4' energy: -73.858
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -79.149
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1281.074265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.074265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.274265 (E_RNA)
where:
Base-Base interactions energy: -737.087
where: short stacking energy: -301.476
Base-Backbone interact. energy: -1.437
local terms energy: -342.749731
where:
bonds (distance) C4'-P energy: -65.835
bonds (distance) P-C4' energy: -68.864
flat angles C4'-P-C4' energy: -77.911
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -81.520
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1194.012158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.012158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.012158 (E_RNA)
where:
Base-Base interactions energy: -687.436
where: short stacking energy: -284.437
Base-Backbone interact. energy: -0.848
local terms energy: -298.728553
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -77.220
Dist. restrs. and SS energy: -207.000 (S_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: 91
Temperature: 1.200000
Total energy: -1099.069973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.069973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.269973 (E_RNA)
where:
Base-Base interactions energy: -646.697
where: short stacking energy: -268.230
Base-Backbone interact. energy: -4.037
local terms energy: -284.535803
where:
bonds (distance) C4'-P energy: -67.523
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -60.508
flat angles P-C4'-P energy: -46.135
tors. eta vs tors. theta energy: -54.530
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1050.604023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.604023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.804023 (E_RNA)
where:
Base-Base interactions energy: -584.581
where: short stacking energy: -265.225
Base-Backbone interact. energy: 1.378
local terms energy: -294.600994
where:
bonds (distance) C4'-P energy: -62.261
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -65.073
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: -69.692
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -998.141347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.141347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.941347 (E_RNA)
where:
Base-Base interactions energy: -564.992
where: short stacking energy: -207.897
Base-Backbone interact. energy: -0.715
local terms energy: -263.234956
where:
bonds (distance) C4'-P energy: -67.785
bonds (distance) P-C4' energy: -53.682
flat angles C4'-P-C4' energy: -48.688
flat angles P-C4'-P energy: -41.305
tors. eta vs tors. theta energy: -51.775
Dist. restrs. and SS energy: -169.200 (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: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -869.395551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.395551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.195551 (E_RNA)
where:
Base-Base interactions energy: -490.899
where: short stacking energy: -190.716
Base-Backbone interact. energy: 1.016
local terms energy: -246.312850
where:
bonds (distance) C4'-P energy: -57.039
bonds (distance) P-C4' energy: -68.400
flat angles C4'-P-C4' energy: -57.398
flat angles P-C4'-P energy: -34.891
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1436.229323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.229323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.829323 (E_RNA)
where:
Base-Base interactions energy: -865.950
where: short stacking energy: -339.593
Base-Backbone interact. energy: -6.828
local terms energy: -369.050554
where:
bonds (distance) C4'-P energy: -71.713
bonds (distance) P-C4' energy: -71.798
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -57.375
tors. eta vs tors. theta energy: -87.526
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1385.976529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.976529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.376529 (E_RNA)
where:
Base-Base interactions energy: -808.846
where: short stacking energy: -353.369
Base-Backbone interact. energy: -2.118
local terms energy: -373.412671
where:
bonds (distance) C4'-P energy: -65.722
bonds (distance) P-C4' energy: -72.127
flat angles C4'-P-C4' energy: -80.180
flat angles P-C4'-P energy: -48.480
tors. eta vs tors. theta energy: -106.904
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1316.820379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.820379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.220379 (E_RNA)
where:
Base-Base interactions energy: -783.627
where: short stacking energy: -316.906
Base-Backbone interact. energy: 0.287
local terms energy: -331.880073
where:
bonds (distance) C4'-P energy: -71.456
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -87.468
Dist. restrs. and SS energy: -201.600 (S_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: -1287.590191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.590191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.790191 (E_RNA)
where:
Base-Base interactions energy: -729.218
where: short stacking energy: -302.410
Base-Backbone interact. energy: -1.292
local terms energy: -357.279909
where:
bonds (distance) C4'-P energy: -64.133
bonds (distance) P-C4' energy: -82.425
flat angles C4'-P-C4' energy: -81.259
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -78.501
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1270.245802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.245802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.245802 (E_RNA)
where:
Base-Base interactions energy: -746.432
where: short stacking energy: -277.722
Base-Backbone interact. energy: -2.839
local terms energy: -322.974720
where:
bonds (distance) C4'-P energy: -63.450
bonds (distance) P-C4' energy: -68.385
flat angles C4'-P-C4' energy: -77.238
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -71.558
Dist. restrs. and SS energy: -198.000 (S_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: 92
Temperature: 1.150000
Total energy: -1210.395886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.395886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.995886 (E_RNA)
where:
Base-Base interactions energy: -665.865
where: short stacking energy: -270.259
Base-Backbone interact. energy: -2.333
local terms energy: -338.797547
where:
bonds (distance) C4'-P energy: -49.506
bonds (distance) P-C4' energy: -86.439
flat angles C4'-P-C4' energy: -74.994
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -78.197
Dist. restrs. and SS energy: -203.400 (S_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: 92
Temperature: 1.200000
Total energy: -1091.721588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.721588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.321588 (E_RNA)
where:
Base-Base interactions energy: -654.271
where: short stacking energy: -247.943
Base-Backbone interact. energy: 1.530
local terms energy: -271.580280
where:
bonds (distance) C4'-P energy: -62.602
bonds (distance) P-C4' energy: -56.851
flat angles C4'-P-C4' energy: -62.600
flat angles P-C4'-P energy: -31.351
tors. eta vs tors. theta energy: -58.177
Dist. restrs. and SS energy: -167.400 (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: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1069.492584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.492584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.492584 (E_RNA)
where:
Base-Base interactions energy: -601.230
where: short stacking energy: -266.016
Base-Backbone interact. energy: -1.125
local terms energy: -296.137903
where:
bonds (distance) C4'-P energy: -56.349
bonds (distance) P-C4' energy: -66.163
flat angles C4'-P-C4' energy: -71.536
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: -171.000 (S_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: 92
Temperature: 1.300000
Total energy: -962.356362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.356362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.556362 (E_RNA)
where:
Base-Base interactions energy: -551.487
where: short stacking energy: -245.018
Base-Backbone interact. energy: -0.190
local terms energy: -282.879362
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -64.085
flat angles C4'-P-C4' energy: -65.668
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -57.854
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1001.918027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.918027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.118027 (E_RNA)
where:
Base-Base interactions energy: -584.393
where: short stacking energy: -225.924
Base-Backbone interact. energy: 4.228
local terms energy: -248.952921
where:
bonds (distance) C4'-P energy: -46.305
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -51.879
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -46.210
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1413.881041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.881041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.081041 (E_RNA)
where:
Base-Base interactions energy: -856.989
where: short stacking energy: -338.951
Base-Backbone interact. energy: -6.215
local terms energy: -359.877409
where:
bonds (distance) C4'-P energy: -70.859
bonds (distance) P-C4' energy: -70.492
flat angles C4'-P-C4' energy: -76.835
flat angles P-C4'-P energy: -52.374
tors. eta vs tors. theta energy: -89.318
Dist. restrs. and SS energy: -190.800 (S_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: -1413.574490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.574490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.974490 (E_RNA)
where:
Base-Base interactions energy: -836.176
where: short stacking energy: -359.968
Base-Backbone interact. energy: -1.935
local terms energy: -373.862739
where:
bonds (distance) C4'-P energy: -77.026
bonds (distance) P-C4' energy: -62.400
flat angles C4'-P-C4' energy: -78.433
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -101.203
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1310.259033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.259033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.059033 (E_RNA)
where:
Base-Base interactions energy: -752.272
where: short stacking energy: -329.179
Base-Backbone interact. energy: -1.757
local terms energy: -351.030827
where:
bonds (distance) C4'-P energy: -68.678
bonds (distance) P-C4' energy: -70.798
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: -82.534
Dist. restrs. and SS energy: -205.200 (S_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: 93
Temperature: 1.050000
Total energy: -1293.841152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.841152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.641152 (E_RNA)
where:
Base-Base interactions energy: -746.214
where: short stacking energy: -309.604
Base-Backbone interact. energy: -3.632
local terms energy: -347.794862
where:
bonds (distance) C4'-P energy: -74.246
bonds (distance) P-C4' energy: -69.004
flat angles C4'-P-C4' energy: -71.280
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -83.981
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1252.834856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.834856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.234856 (E_RNA)
where:
Base-Base interactions energy: -734.289
where: short stacking energy: -294.691
Base-Backbone interact. energy: 2.927
local terms energy: -319.872964
where:
bonds (distance) C4'-P energy: -66.015
bonds (distance) P-C4' energy: -75.893
flat angles C4'-P-C4' energy: -66.201
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -73.518
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1217.126280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.126280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.926280 (E_RNA)
where:
Base-Base interactions energy: -701.063
where: short stacking energy: -286.258
Base-Backbone interact. energy: -4.035
local terms energy: -297.828281
where:
bonds (distance) C4'-P energy: -63.945
bonds (distance) P-C4' energy: -58.445
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -74.146
Dist. restrs. and SS energy: -214.200 (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: 93
Temperature: 1.200000
Total energy: -1101.975124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.975124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.575124 (E_RNA)
where:
Base-Base interactions energy: -668.010
where: short stacking energy: -246.734
Base-Backbone interact. energy: 0.129
local terms energy: -266.694325
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -66.910
flat angles C4'-P-C4' energy: -70.470
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -51.823
Dist. restrs. and SS energy: -167.400 (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: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1047.677335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.677335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.277335 (E_RNA)
where:
Base-Base interactions energy: -599.123
where: short stacking energy: -259.696
Base-Backbone interact. energy: -1.038
local terms energy: -280.116020
where:
bonds (distance) C4'-P energy: -57.694
bonds (distance) P-C4' energy: -63.406
flat angles C4'-P-C4' energy: -66.437
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -56.245
Dist. restrs. and SS energy: -167.400 (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: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -939.072305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.072305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.672305 (E_RNA)
where:
Base-Base interactions energy: -539.773
where: short stacking energy: -229.864
Base-Backbone interact. energy: -1.792
local terms energy: -275.106920
where:
bonds (distance) C4'-P energy: -58.749
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: -51.601
Dist. restrs. and SS energy: -122.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -964.136408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.136408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.736408 (E_RNA)
where:
Base-Base interactions energy: -557.987
where: short stacking energy: -229.522
Base-Backbone interact. energy: -1.821
local terms energy: -245.927719
where:
bonds (distance) C4'-P energy: -57.651
bonds (distance) P-C4' energy: -56.773
flat angles C4'-P-C4' energy: -54.834
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -46.642
Dist. restrs. and SS energy: -158.400 (S_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: -1425.914553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.914553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.314553 (E_RNA)
where:
Base-Base interactions energy: -844.544
where: short stacking energy: -370.476
Base-Backbone interact. energy: -3.024
local terms energy: -376.746761
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -72.212
flat angles C4'-P-C4' energy: -84.216
flat angles P-C4'-P energy: -53.781
tors. eta vs tors. theta energy: -100.667
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1411.021536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.021536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.221536 (E_RNA)
where:
Base-Base interactions energy: -836.500
where: short stacking energy: -326.383
Base-Backbone interact. energy: -0.916
local terms energy: -382.805904
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -80.488
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -53.967
tors. eta vs tors. theta energy: -93.822
Dist. restrs. and SS energy: -190.800 (S_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: 94
Temperature: 1.000000
Total energy: -1319.325224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.325224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.325224 (E_RNA)
where:
Base-Base interactions energy: -763.839
where: short stacking energy: -328.937
Base-Backbone interact. energy: -2.105
local terms energy: -355.381128
where:
bonds (distance) C4'-P energy: -60.443
bonds (distance) P-C4' energy: -74.400
flat angles C4'-P-C4' energy: -84.606
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: -198.000 (S_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: 94
Temperature: 1.050000
Total energy: -1279.923291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.923291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.123291 (E_RNA)
where:
Base-Base interactions energy: -739.365
where: short stacking energy: -303.069
Base-Backbone interact. energy: -2.314
local terms energy: -329.445092
where:
bonds (distance) C4'-P energy: -63.719
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -76.152
flat angles P-C4'-P energy: -50.674
tors. eta vs tors. theta energy: -77.716
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1289.478714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.478714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.878714 (E_RNA)
where:
Base-Base interactions energy: -766.609
where: short stacking energy: -303.994
Base-Backbone interact. energy: -2.145
local terms energy: -319.125536
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -68.120
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -77.147
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1196.586888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.586888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.386888 (E_RNA)
where:
Base-Base interactions energy: -681.185
where: short stacking energy: -269.095
Base-Backbone interact. energy: -0.173
local terms energy: -301.028904
where:
bonds (distance) C4'-P energy: -60.316
bonds (distance) P-C4' energy: -61.787
flat angles C4'-P-C4' energy: -71.324
flat angles P-C4'-P energy: -49.865
tors. eta vs tors. theta energy: -57.737
Dist. restrs. and SS energy: -214.200 (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: 94
Temperature: 1.200000
Total energy: -1115.450925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.450925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.650925 (E_RNA)
where:
Base-Base interactions energy: -663.505
where: short stacking energy: -245.588
Base-Backbone interact. energy: 6.531
local terms energy: -285.677281
where:
bonds (distance) C4'-P energy: -46.243
bonds (distance) P-C4' energy: -72.416
flat angles C4'-P-C4' energy: -76.603
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -56.065
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1064.366675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.366675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.966675 (E_RNA)
where:
Base-Base interactions energy: -607.944
where: short stacking energy: -259.933
Base-Backbone interact. energy: -2.059
local terms energy: -286.962942
where:
bonds (distance) C4'-P energy: -50.430
bonds (distance) P-C4' energy: -66.240
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: -68.562
Dist. restrs. and SS energy: -167.400 (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: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -966.036708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.036708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.836708 (E_RNA)
where:
Base-Base interactions energy: -529.642
where: short stacking energy: -226.125
Base-Backbone interact. energy: 1.759
local terms energy: -277.954151
where:
bonds (distance) C4'-P energy: -59.305
bonds (distance) P-C4' energy: -66.496
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -887.589977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.589977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.389977 (E_RNA)
where:
Base-Base interactions energy: -519.354
where: short stacking energy: -202.944
Base-Backbone interact. energy: 0.242
local terms energy: -244.278966
where:
bonds (distance) C4'-P energy: -63.597
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -43.422
Dist. restrs. and SS energy: -124.200 (S_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: -1429.513807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.513807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.913807 (E_RNA)
where:
Base-Base interactions energy: -822.002
where: short stacking energy: -378.561
Base-Backbone interact. energy: -3.539
local terms energy: -402.373417
where:
bonds (distance) C4'-P energy: -78.908
bonds (distance) P-C4' energy: -82.757
flat angles C4'-P-C4' energy: -91.242
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -98.360
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1395.162733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.162733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.762733 (E_RNA)
where:
Base-Base interactions energy: -838.209
where: short stacking energy: -339.559
Base-Backbone interact. energy: -1.991
local terms energy: -360.562676
where:
bonds (distance) C4'-P energy: -75.932
bonds (distance) P-C4' energy: -69.840
flat angles C4'-P-C4' energy: -76.862
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -90.136
Dist. restrs. and SS energy: -194.400 (S_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: 95
Temperature: 1.000000
Total energy: -1335.070618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.070618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.270618 (E_RNA)
where:
Base-Base interactions energy: -775.390
where: short stacking energy: -317.758
Base-Backbone interact. energy: -2.406
local terms energy: -357.475296
where:
bonds (distance) C4'-P energy: -69.502
bonds (distance) P-C4' energy: -76.207
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -60.887
tors. eta vs tors. theta energy: -79.695
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1323.023729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.023729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.823729 (E_RNA)
where:
Base-Base interactions energy: -768.627
where: short stacking energy: -319.729
Base-Backbone interact. energy: -2.366
local terms energy: -346.830399
where:
bonds (distance) C4'-P energy: -64.022
bonds (distance) P-C4' energy: -72.018
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -50.683
tors. eta vs tors. theta energy: -85.336
Dist. restrs. and SS energy: -205.200 (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: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1252.541230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.541230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.941230 (E_RNA)
where:
Base-Base interactions energy: -722.864
where: short stacking energy: -288.365
Base-Backbone interact. energy: 0.393
local terms energy: -328.470407
where:
bonds (distance) C4'-P energy: -71.625
bonds (distance) P-C4' energy: -67.520
flat angles C4'-P-C4' energy: -72.836
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -75.319
Dist. restrs. and SS energy: -201.600 (S_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: 95
Temperature: 1.150000
Total energy: -1193.809226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.809226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.409226 (E_RNA)
where:
Base-Base interactions energy: -675.448
where: short stacking energy: -268.243
Base-Backbone interact. energy: -3.075
local terms energy: -302.885476
where:
bonds (distance) C4'-P energy: -61.516
bonds (distance) P-C4' energy: -61.127
flat angles C4'-P-C4' energy: -72.203
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -66.914
Dist. restrs. and SS energy: -212.400 (S_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: 95
Temperature: 1.200000
Total energy: -1121.554773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.554773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.154773 (E_RNA)
where:
Base-Base interactions energy: -660.217
where: short stacking energy: -248.621
Base-Backbone interact. energy: -0.028
local terms energy: -293.909545
where:
bonds (distance) C4'-P energy: -69.105
bonds (distance) P-C4' energy: -59.966
flat angles C4'-P-C4' energy: -59.806
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -63.527
Dist. restrs. and SS energy: -167.400 (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: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1084.429945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.429945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.229945 (E_RNA)
where:
Base-Base interactions energy: -610.570
where: short stacking energy: -253.663
Base-Backbone interact. energy: -2.096
local terms energy: -302.564294
where:
bonds (distance) C4'-P energy: -56.047
bonds (distance) P-C4' energy: -65.407
flat angles C4'-P-C4' energy: -66.880
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: -70.072
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -954.834600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.834600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.634600 (E_RNA)
where:
Base-Base interactions energy: -529.428
where: short stacking energy: -227.278
Base-Backbone interact. energy: -0.588
local terms energy: -264.619009
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -57.979
flat angles C4'-P-C4' energy: -74.043
flat angles P-C4'-P energy: -27.069
tors. eta vs tors. theta energy: -39.552
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -837.250772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.250772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.050772 (E_RNA)
where:
Base-Base interactions energy: -475.906
where: short stacking energy: -184.157
Base-Backbone interact. energy: 1.645
local terms energy: -238.789452
where:
bonds (distance) C4'-P energy: -64.068
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -46.037
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -44.660
Dist. restrs. and SS energy: -124.200 (S_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: -1417.128174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.128174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.328174 (E_RNA)
where:
Base-Base interactions energy: -831.741
where: short stacking energy: -359.864
Base-Backbone interact. energy: -2.716
local terms energy: -382.871164
where:
bonds (distance) C4'-P energy: -77.497
bonds (distance) P-C4' energy: -76.255
flat angles C4'-P-C4' energy: -78.173
flat angles P-C4'-P energy: -53.886
tors. eta vs tors. theta energy: -97.060
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1373.283867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.283867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.683867 (E_RNA)
where:
Base-Base interactions energy: -812.354
where: short stacking energy: -333.462
Base-Backbone interact. energy: -1.527
local terms energy: -366.802799
where:
bonds (distance) C4'-P energy: -72.307
bonds (distance) P-C4' energy: -79.079
flat angles C4'-P-C4' energy: -82.002
flat angles P-C4'-P energy: -53.397
tors. eta vs tors. theta energy: -80.018
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1383.167627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.167627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.967627 (E_RNA)
where:
Base-Base interactions energy: -818.375
where: short stacking energy: -345.127
Base-Backbone interact. energy: -4.079
local terms energy: -355.514279
where:
bonds (distance) C4'-P energy: -72.441
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -74.841
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -88.421
Dist. restrs. and SS energy: -205.200 (S_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: 96
Temperature: 1.050000
Total energy: -1291.449888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.449888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.649888 (E_RNA)
where:
Base-Base interactions energy: -756.504
where: short stacking energy: -302.429
Base-Backbone interact. energy: -1.942
local terms energy: -333.203320
where:
bonds (distance) C4'-P energy: -72.052
bonds (distance) P-C4' energy: -69.394
flat angles C4'-P-C4' energy: -72.297
flat angles P-C4'-P energy: -40.406
tors. eta vs tors. theta energy: -79.054
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1234.905680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.905680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.505680 (E_RNA)
where:
Base-Base interactions energy: -706.544
where: short stacking energy: -283.790
Base-Backbone interact. energy: -2.617
local terms energy: -313.345395
where:
bonds (distance) C4'-P energy: -68.060
bonds (distance) P-C4' energy: -65.748
flat angles C4'-P-C4' energy: -67.293
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -66.166
Dist. restrs. and SS energy: -212.400 (S_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: -1219.813677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.813677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.613677 (E_RNA)
where:
Base-Base interactions energy: -700.332
where: short stacking energy: -268.335
Base-Backbone interact. energy: -1.544
local terms energy: -312.738288
where:
bonds (distance) C4'-P energy: -68.962
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -79.727
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -63.885
Dist. restrs. and SS energy: -205.200 (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: 96
Temperature: 1.200000
Total energy: -1123.631935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.631935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.231935 (E_RNA)
where:
Base-Base interactions energy: -643.185
where: short stacking energy: -250.219
Base-Backbone interact. energy: -1.224
local terms energy: -311.822482
where:
bonds (distance) C4'-P energy: -62.534
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -75.682
flat angles P-C4'-P energy: -43.139
tors. eta vs tors. theta energy: -60.808
Dist. restrs. and SS energy: -167.400 (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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1037.390802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.390802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.590802 (E_RNA)
where:
Base-Base interactions energy: -582.896
where: short stacking energy: -242.257
Base-Backbone interact. energy: -2.680
local terms energy: -279.015499
where:
bonds (distance) C4'-P energy: -56.496
bonds (distance) P-C4' energy: -60.157
flat angles C4'-P-C4' energy: -63.709
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -51.062
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -972.008686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.008686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.808686 (E_RNA)
where:
Base-Base interactions energy: -540.192
where: short stacking energy: -228.029
Base-Backbone interact. energy: -1.590
local terms energy: -270.027669
where:
bonds (distance) C4'-P energy: -55.678
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -62.583
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -56.700
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -865.338800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.338800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.738800 (E_RNA)
where:
Base-Base interactions energy: -467.324
where: short stacking energy: -179.386
Base-Backbone interact. energy: 0.937
local terms energy: -269.352224
where:
bonds (distance) C4'-P energy: -63.429
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -60.230
flat angles P-C4'-P energy: -49.702
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: -129.600 (S_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: -1425.447242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.447242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.447242 (E_RNA)
where:
Base-Base interactions energy: -838.073
where: short stacking energy: -364.029
Base-Backbone interact. energy: -3.917
local terms energy: -385.456862
where:
bonds (distance) C4'-P energy: -70.550
bonds (distance) P-C4' energy: -79.947
flat angles C4'-P-C4' energy: -90.314
flat angles P-C4'-P energy: -57.753
tors. eta vs tors. theta energy: -86.893
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1351.672018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.672018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.672018 (E_RNA)
where:
Base-Base interactions energy: -798.163
where: short stacking energy: -331.919
Base-Backbone interact. energy: -1.550
local terms energy: -362.959253
where:
bonds (distance) C4'-P energy: -67.593
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -80.943
flat angles P-C4'-P energy: -56.256
tors. eta vs tors. theta energy: -84.598
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1362.909124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.909124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.109124 (E_RNA)
where:
Base-Base interactions energy: -796.573
where: short stacking energy: -333.209
Base-Backbone interact. energy: -1.550
local terms energy: -355.986531
where:
bonds (distance) C4'-P energy: -75.786
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -76.351
flat angles P-C4'-P energy: -50.128
tors. eta vs tors. theta energy: -87.474
Dist. restrs. and SS energy: -208.800 (S_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: 97
Temperature: 1.050000
Total energy: -1277.976059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.976059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.176059 (E_RNA)
where:
Base-Base interactions energy: -734.179
where: short stacking energy: -305.966
Base-Backbone interact. energy: 0.913
local terms energy: -344.910735
where:
bonds (distance) C4'-P energy: -75.839
bonds (distance) P-C4' energy: -73.879
flat angles C4'-P-C4' energy: -72.508
flat angles P-C4'-P energy: -42.823
tors. eta vs tors. theta energy: -79.861
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1234.340806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.340806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.340806 (E_RNA)
where:
Base-Base interactions energy: -692.676
where: short stacking energy: -285.411
Base-Backbone interact. energy: -0.955
local terms energy: -333.710226
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -67.467
flat angles C4'-P-C4' energy: -79.346
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -73.480
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1106.220372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.220372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.220372 (E_RNA)
where:
Base-Base interactions energy: -653.772
where: short stacking energy: -258.951
Base-Backbone interact. energy: -1.649
local terms energy: -279.798847
where:
bonds (distance) C4'-P energy: -55.994
bonds (distance) P-C4' energy: -65.239
flat angles C4'-P-C4' energy: -72.070
flat angles P-C4'-P energy: -31.538
tors. eta vs tors. theta energy: -54.957
Dist. restrs. and SS energy: -171.000 (S_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: -1180.996665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.996665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.796665 (E_RNA)
where:
Base-Base interactions energy: -675.438
where: short stacking energy: -280.593
Base-Backbone interact. energy: 0.108
local terms energy: -300.466675
where:
bonds (distance) C4'-P energy: -58.346
bonds (distance) P-C4' energy: -62.735
flat angles C4'-P-C4' energy: -66.828
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -68.298
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1060.048039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.048039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.648039 (E_RNA)
where:
Base-Base interactions energy: -587.503
where: short stacking energy: -247.823
Base-Backbone interact. energy: -2.481
local terms energy: -302.664342
where:
bonds (distance) C4'-P energy: -68.487
bonds (distance) P-C4' energy: -72.838
flat angles C4'-P-C4' energy: -63.221
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -55.425
Dist. restrs. and SS energy: -167.400 (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: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -929.954826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.954826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.154826 (E_RNA)
where:
Base-Base interactions energy: -507.562
where: short stacking energy: -222.621
Base-Backbone interact. energy: -1.816
local terms energy: -265.776688
where:
bonds (distance) C4'-P energy: -64.825
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -53.921
flat angles P-C4'-P energy: -38.161
tors. eta vs tors. theta energy: -47.338
Dist. restrs. and SS energy: -154.800 (S_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: 97
Temperature: 1.350000
Total energy: -923.627750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.627750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.227750 (E_RNA)
where:
Base-Base interactions energy: -537.332
where: short stacking energy: -221.926
Base-Backbone interact. energy: -3.195
local terms energy: -251.701133
where:
bonds (distance) C4'-P energy: -54.159
bonds (distance) P-C4' energy: -55.390
flat angles C4'-P-C4' energy: -62.179
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -43.959
Dist. restrs. and SS energy: -131.400 (S_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: 98
Temperature: 0.900000
Total energy: -1400.510048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.510048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.310048 (E_RNA)
where:
Base-Base interactions energy: -820.866
where: short stacking energy: -327.130
Base-Backbone interact. energy: -2.628
local terms energy: -380.816584
where:
bonds (distance) C4'-P energy: -69.537
bonds (distance) P-C4' energy: -80.232
flat angles C4'-P-C4' energy: -84.603
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -96.294
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1364.845080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.845080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.845080 (E_RNA)
where:
Base-Base interactions energy: -812.363
where: short stacking energy: -352.886
Base-Backbone interact. energy: -1.575
local terms energy: -361.907181
where:
bonds (distance) C4'-P energy: -67.834
bonds (distance) P-C4' energy: -75.430
flat angles C4'-P-C4' energy: -80.622
flat angles P-C4'-P energy: -53.669
tors. eta vs tors. theta energy: -84.352
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1379.298970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.298970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.098970 (E_RNA)
where:
Base-Base interactions energy: -841.726
where: short stacking energy: -322.384
Base-Backbone interact. energy: -2.262
local terms energy: -330.111050
where:
bonds (distance) C4'-P energy: -72.769
bonds (distance) P-C4' energy: -67.348
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -42.063
tors. eta vs tors. theta energy: -91.012
Dist. restrs. and SS energy: -205.200 (S_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: 98
Temperature: 1.050000
Total energy: -1263.625202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.625202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.825202 (E_RNA)
where:
Base-Base interactions energy: -726.861
where: short stacking energy: -301.409
Base-Backbone interact. energy: -0.615
local terms energy: -336.349149
where:
bonds (distance) C4'-P energy: -71.370
bonds (distance) P-C4' energy: -81.594
flat angles C4'-P-C4' energy: -70.654
flat angles P-C4'-P energy: -34.750
tors. eta vs tors. theta energy: -77.980
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1249.017598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.017598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.817598 (E_RNA)
where:
Base-Base interactions energy: -696.688
where: short stacking energy: -298.481
Base-Backbone interact. energy: 0.448
local terms energy: -347.577095
where:
bonds (distance) C4'-P energy: -59.368
bonds (distance) P-C4' energy: -77.100
flat angles C4'-P-C4' energy: -76.822
flat angles P-C4'-P energy: -51.036
tors. eta vs tors. theta energy: -83.251
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1162.536706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.536706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.136706 (E_RNA)
where:
Base-Base interactions energy: -701.293
where: short stacking energy: -284.694
Base-Backbone interact. energy: -3.463
local terms energy: -272.380970
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -69.318
flat angles C4'-P-C4' energy: -64.301
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -51.385
Dist. restrs. and SS energy: -185.400 (S_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: -1162.139726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.139726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.939726 (E_RNA)
where:
Base-Base interactions energy: -655.347
where: short stacking energy: -261.632
Base-Backbone interact. energy: -1.196
local terms energy: -300.397224
where:
bonds (distance) C4'-P energy: -70.819
bonds (distance) P-C4' energy: -66.319
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -74.785
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1056.082599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.082599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.282599 (E_RNA)
where:
Base-Base interactions energy: -596.051
where: short stacking energy: -252.575
Base-Backbone interact. energy: -0.552
local terms energy: -286.679147
where:
bonds (distance) C4'-P energy: -61.534
bonds (distance) P-C4' energy: -63.379
flat angles C4'-P-C4' energy: -60.045
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -64.364
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -904.755663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.755663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.355663 (E_RNA)
where:
Base-Base interactions energy: -494.462
where: short stacking energy: -198.092
Base-Backbone interact. energy: 7.517
local terms energy: -268.410770
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -64.465
flat angles C4'-P-C4' energy: -71.975
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: -149.400 (S_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: 98
Temperature: 1.350000
Total energy: -878.111484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.111484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.111484 (E_RNA)
where:
Base-Base interactions energy: -502.455
where: short stacking energy: -208.470
Base-Backbone interact. energy: -2.146
local terms energy: -247.511025
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -58.093
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -33.456
tors. eta vs tors. theta energy: -53.495
Dist. restrs. and SS energy: -126.000 (S_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: 99
Temperature: 0.900000
Total energy: -1427.851597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.851597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.051597 (E_RNA)
where:
Base-Base interactions energy: -854.928
where: short stacking energy: -356.573
Base-Backbone interact. energy: -0.321
local terms energy: -372.802117
where:
bonds (distance) C4'-P energy: -73.948
bonds (distance) P-C4' energy: -72.928
flat angles C4'-P-C4' energy: -75.442
flat angles P-C4'-P energy: -53.911
tors. eta vs tors. theta energy: -96.574
Dist. restrs. and SS energy: -199.800 (S_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: 99
Temperature: 0.950000
Total energy: -1439.491003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.491003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.691003 (E_RNA)
where:
Base-Base interactions energy: -851.842
where: short stacking energy: -358.710
Base-Backbone interact. energy: -0.070
local terms energy: -378.778245
where:
bonds (distance) C4'-P energy: -82.031
bonds (distance) P-C4' energy: -78.046
flat angles C4'-P-C4' energy: -81.393
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -93.097
Dist. restrs. and SS energy: -208.800 (S_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: 99
Temperature: 1.000000
Total energy: -1346.339502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.339502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.739502 (E_RNA)
where:
Base-Base interactions energy: -802.419
where: short stacking energy: -317.259
Base-Backbone interact. energy: 0.716
local terms energy: -352.037403
where:
bonds (distance) C4'-P energy: -73.280
bonds (distance) P-C4' energy: -72.397
flat angles C4'-P-C4' energy: -74.848
flat angles P-C4'-P energy: -51.498
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: -192.600 (S_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: 99
Temperature: 1.050000
Total energy: -1249.048643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.048643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.848643 (E_RNA)
where:
Base-Base interactions energy: -703.555
where: short stacking energy: -308.038
Base-Backbone interact. energy: -1.682
local terms energy: -329.610895
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -72.540
flat angles C4'-P-C4' energy: -69.090
flat angles P-C4'-P energy: -50.749
tors. eta vs tors. theta energy: -71.151
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1244.985132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.985132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.585132 (E_RNA)
where:
Base-Base interactions energy: -729.947
where: short stacking energy: -288.527
Base-Backbone interact. energy: 2.654
local terms energy: -314.292251
where:
bonds (distance) C4'-P energy: -58.974
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -81.163
flat angles P-C4'-P energy: -47.069
tors. eta vs tors. theta energy: -59.752
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1153.841969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.841969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.441969 (E_RNA)
where:
Base-Base interactions energy: -685.535
where: short stacking energy: -272.102
Base-Backbone interact. energy: 0.580
local terms energy: -283.486077
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -72.842
flat angles C4'-P-C4' energy: -57.442
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -57.493
Dist. restrs. and SS energy: -185.400 (S_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: 99
Temperature: 1.200000
Total energy: -1171.998671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.998671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.598671 (E_RNA)
where:
Base-Base interactions energy: -656.406
where: short stacking energy: -252.457
Base-Backbone interact. energy: -0.681
local terms energy: -311.511422
where:
bonds (distance) C4'-P energy: -63.294
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -78.532
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: -71.522
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1051.233173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.233173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.233173 (E_RNA)
where:
Base-Base interactions energy: -598.861
where: short stacking energy: -257.093
Base-Backbone interact. energy: -2.838
local terms energy: -278.533903
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -60.369
flat angles C4'-P-C4' energy: -68.983
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -64.692
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -894.984764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.984764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.784764 (E_RNA)
where:
Base-Base interactions energy: -499.652
where: short stacking energy: -209.792
Base-Backbone interact. energy: 1.416
local terms energy: -236.549055
where:
bonds (distance) C4'-P energy: -45.887
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -32.690
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -828.932686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.932686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.932686 (E_RNA)
where:
Base-Base interactions energy: -432.840
where: short stacking energy: -182.746
Base-Backbone interact. energy: -0.640
local terms energy: -269.452931
where:
bonds (distance) C4'-P energy: -64.053
bonds (distance) P-C4' energy: -67.972
flat angles C4'-P-C4' energy: -63.429
flat angles P-C4'-P energy: -43.017
tors. eta vs tors. theta energy: -30.982
Dist. restrs. and SS energy: -126.000 (S_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: -1450.858930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.858930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.458930 (E_RNA)
where:
Base-Base interactions energy: -868.733
where: short stacking energy: -362.608
Base-Backbone interact. energy: -1.376
local terms energy: -377.349387
where:
bonds (distance) C4'-P energy: -74.510
bonds (distance) P-C4' energy: -63.111
flat angles C4'-P-C4' energy: -77.819
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: -100.898
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1408.347176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.347176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.547176 (E_RNA)
where:
Base-Base interactions energy: -846.079
where: short stacking energy: -357.133
Base-Backbone interact. energy: -1.628
local terms energy: -360.840435
where:
bonds (distance) C4'-P energy: -64.337
bonds (distance) P-C4' energy: -61.872
flat angles C4'-P-C4' energy: -79.739
flat angles P-C4'-P energy: -51.458
tors. eta vs tors. theta energy: -103.435
Dist. restrs. and SS energy: -199.800 (S_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: 100
Temperature: 1.000000
Total energy: -1347.797652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.797652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.197652 (E_RNA)
where:
Base-Base interactions energy: -802.003
where: short stacking energy: -316.396
Base-Backbone interact. energy: -1.895
local terms energy: -351.299411
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -74.910
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -57.471
tors. eta vs tors. theta energy: -85.342
Dist. restrs. and SS energy: -192.600 (S_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: 100
Temperature: 1.050000
Total energy: -1252.232778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.232778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.632778 (E_RNA)
where:
Base-Base interactions energy: -717.913
where: short stacking energy: -297.795
Base-Backbone interact. energy: -2.777
local terms energy: -329.943130
where:
bonds (distance) C4'-P energy: -63.156
bonds (distance) P-C4' energy: -68.403
flat angles C4'-P-C4' energy: -72.497
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: -201.600 (S_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: 100
Temperature: 1.100000
Total energy: -1266.520586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.520586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.920586 (E_RNA)
where:
Base-Base interactions energy: -739.484
where: short stacking energy: -298.412
Base-Backbone interact. energy: -0.786
local terms energy: -324.651181
where:
bonds (distance) C4'-P energy: -51.258
bonds (distance) P-C4' energy: -72.810
flat angles C4'-P-C4' energy: -77.355
flat angles P-C4'-P energy: -50.801
tors. eta vs tors. theta energy: -72.427
Dist. restrs. and SS energy: -201.600 (S_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: -1189.413298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.413298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.013298 (E_RNA)
where:
Base-Base interactions energy: -691.764
where: short stacking energy: -287.412
Base-Backbone interact. energy: -3.483
local terms energy: -308.767130
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -75.957
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -63.774
Dist. restrs. and SS energy: -185.400 (S_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: 100
Temperature: 1.200000
Total energy: -1185.803260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.803260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.803260 (E_RNA)
where:
Base-Base interactions energy: -679.695
where: short stacking energy: -278.201
Base-Backbone interact. energy: 5.793
local terms energy: -304.901365
where:
bonds (distance) C4'-P energy: -60.700
bonds (distance) P-C4' energy: -70.381
flat angles C4'-P-C4' energy: -66.563
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -69.168
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1085.595001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.595001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.795001 (E_RNA)
where:
Base-Base interactions energy: -630.470
where: short stacking energy: -264.757
Base-Backbone interact. energy: -0.897
local terms energy: -281.427925
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -62.389
flat angles C4'-P-C4' energy: -73.299
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -68.872
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -936.647561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.647561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.647561 (E_RNA)
where:
Base-Base interactions energy: -525.323
where: short stacking energy: -196.099
Base-Backbone interact. energy: 0.070
local terms energy: -249.394637
where:
bonds (distance) C4'-P energy: -61.927
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -34.999
Dist. restrs. and SS energy: -162.000 (S_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: 100
Temperature: 1.350000
Total energy: -871.459878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.459878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.659878 (E_RNA)
where:
Base-Base interactions energy: -473.288
where: short stacking energy: -195.384
Base-Backbone interact. energy: 3.930
local terms energy: -247.301731
where:
bonds (distance) C4'-P energy: -57.563
bonds (distance) P-C4' energy: -56.451
flat angles C4'-P-C4' energy: -67.548
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -29.797
Dist. restrs. and SS energy: -154.800 (S_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: -1431.081658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.081658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.281658 (E_RNA)
where:
Base-Base interactions energy: -846.258
where: short stacking energy: -344.490
Base-Backbone interact. energy: -1.668
local terms energy: -374.356082
where:
bonds (distance) C4'-P energy: -77.177
bonds (distance) P-C4' energy: -76.476
flat angles C4'-P-C4' energy: -83.484
flat angles P-C4'-P energy: -45.859
tors. eta vs tors. theta energy: -91.360
Dist. restrs. and SS energy: -208.800 (S_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: 101
Temperature: 0.950000
Total energy: -1386.789481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.789481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.189481 (E_RNA)
where:
Base-Base interactions energy: -830.353
where: short stacking energy: -340.096
Base-Backbone interact. energy: -1.641
local terms energy: -353.195540
where:
bonds (distance) C4'-P energy: -65.200
bonds (distance) P-C4' energy: -67.903
flat angles C4'-P-C4' energy: -75.622
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -93.943
Dist. restrs. and SS energy: -201.600 (S_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: 101
Temperature: 1.000000
Total energy: -1352.017801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.017801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.617801 (E_RNA)
where:
Base-Base interactions energy: -836.120
where: short stacking energy: -321.952
Base-Backbone interact. energy: 0.112
local terms energy: -321.610516
where:
bonds (distance) C4'-P energy: -57.480
bonds (distance) P-C4' energy: -67.957
flat angles C4'-P-C4' energy: -66.782
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -82.731
Dist. restrs. and SS energy: -194.400 (S_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: 101
Temperature: 1.050000
Total energy: -1289.688531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.688531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.288531 (E_RNA)
where:
Base-Base interactions energy: -763.053
where: short stacking energy: -310.046
Base-Backbone interact. energy: -2.020
local terms energy: -330.215862
where:
bonds (distance) C4'-P energy: -70.695
bonds (distance) P-C4' energy: -66.324
flat angles C4'-P-C4' energy: -73.426
flat angles P-C4'-P energy: -44.518
tors. eta vs tors. theta energy: -75.254
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1250.970176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.970176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.170176 (E_RNA)
where:
Base-Base interactions energy: -713.709
where: short stacking energy: -292.974
Base-Backbone interact. energy: -1.450
local terms energy: -336.010900
where:
bonds (distance) C4'-P energy: -74.373
bonds (distance) P-C4' energy: -61.957
flat angles C4'-P-C4' energy: -76.333
flat angles P-C4'-P energy: -50.821
tors. eta vs tors. theta energy: -72.527
Dist. restrs. and SS energy: -199.800 (S_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: 101
Temperature: 1.150000
Total energy: -1214.401057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.401057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.201057 (E_RNA)
where:
Base-Base interactions energy: -681.844
where: short stacking energy: -276.753
Base-Backbone interact. energy: 1.967
local terms energy: -329.324384
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -65.003
flat angles C4'-P-C4' energy: -71.859
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -73.773
Dist. restrs. and SS energy: -205.200 (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: 101
Temperature: 1.200000
Total energy: -1127.540973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.540973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.940973 (E_RNA)
where:
Base-Base interactions energy: -652.548
where: short stacking energy: -264.134
Base-Backbone interact. energy: -0.344
local terms energy: -291.049136
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -64.719
flat angles C4'-P-C4' energy: -67.815
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -55.610
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. 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: -1094.664479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.664479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.064479 (E_RNA)
where:
Base-Base interactions energy: -611.654
where: short stacking energy: -263.686
Base-Backbone interact. energy: 0.605
local terms energy: -309.015164
where:
bonds (distance) C4'-P energy: -75.020
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -61.338
flat angles P-C4'-P energy: -46.236
tors. eta vs tors. theta energy: -56.613
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -972.931949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.931949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.931949 (E_RNA)
where:
Base-Base interactions energy: -549.475
where: short stacking energy: -226.048
Base-Backbone interact. energy: -1.768
local terms energy: -259.688491
where:
bonds (distance) C4'-P energy: -58.194
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -66.146
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -43.415
Dist. restrs. and SS energy: -162.000 (S_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: 101
Temperature: 1.350000
Total energy: -935.475550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.475550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.475550 (E_RNA)
where:
Base-Base interactions energy: -519.502
where: short stacking energy: -198.586
Base-Backbone interact. energy: 0.945
local terms energy: -245.918282
where:
bonds (distance) C4'-P energy: -55.229
bonds (distance) P-C4' energy: -60.733
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -26.851
tors. eta vs tors. theta energy: -38.061
Dist. restrs. and SS energy: -171.000 (S_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: 102
Temperature: 0.900000
Total energy: -1424.481261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.481261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.681261 (E_RNA)
where:
Base-Base interactions energy: -856.885
where: short stacking energy: -341.010
Base-Backbone interact. energy: -1.828
local terms energy: -356.968598
where:
bonds (distance) C4'-P energy: -70.993
bonds (distance) P-C4' energy: -69.282
flat angles C4'-P-C4' energy: -72.470
flat angles P-C4'-P energy: -55.819
tors. eta vs tors. theta energy: -88.404
Dist. restrs. and SS energy: -208.800 (S_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: 102
Temperature: 0.950000
Total energy: -1360.333697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.333697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.533697 (E_RNA)
where:
Base-Base interactions energy: -813.052
where: short stacking energy: -343.334
Base-Backbone interact. energy: -1.229
local terms energy: -346.252629
where:
bonds (distance) C4'-P energy: -57.341
bonds (distance) P-C4' energy: -83.592
flat angles C4'-P-C4' energy: -73.908
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -81.694
Dist. restrs. and SS energy: -199.800 (S_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: 102
Temperature: 1.000000
Total energy: -1398.913778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.913778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.513778 (E_RNA)
where:
Base-Base interactions energy: -830.187
where: short stacking energy: -336.645
Base-Backbone interact. energy: -4.643
local terms energy: -369.683873
where:
bonds (distance) C4'-P energy: -72.161
bonds (distance) P-C4' energy: -76.317
flat angles C4'-P-C4' energy: -78.148
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -95.442
Dist. restrs. and SS energy: -194.400 (S_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: 102
Temperature: 1.050000
Total energy: -1321.392356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.392356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.592356 (E_RNA)
where:
Base-Base interactions energy: -771.414
where: short stacking energy: -331.264
Base-Backbone interact. energy: 0.452
local terms energy: -350.630970
where:
bonds (distance) C4'-P energy: -71.909
bonds (distance) P-C4' energy: -68.199
flat angles C4'-P-C4' energy: -75.543
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -86.562
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1223.173387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.173387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.573387 (E_RNA)
where:
Base-Base interactions energy: -693.737
where: short stacking energy: -280.234
Base-Backbone interact. energy: 1.246
local terms energy: -320.081968
where:
bonds (distance) C4'-P energy: -62.933
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -73.842
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -72.269
Dist. restrs. and SS energy: -210.600 (S_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: -1196.669514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.669514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.269514 (E_RNA)
where:
Base-Base interactions energy: -673.179
where: short stacking energy: -282.160
Base-Backbone interact. energy: 0.380
local terms energy: -320.470056
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -74.407
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -36.599
tors. eta vs tors. theta energy: -66.315
Dist. restrs. and SS energy: -203.400 (S_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: -1123.637193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.637193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.037193 (E_RNA)
where:
Base-Base interactions energy: -633.406
where: short stacking energy: -254.011
Base-Backbone interact. energy: -0.137
local terms energy: -306.493773
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -61.410
flat angles C4'-P-C4' energy: -65.199
flat angles P-C4'-P energy: -51.301
tors. eta vs tors. theta energy: -63.664
Dist. restrs. and SS energy: -183.600 (S_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: 102
Temperature: 1.250000
Total energy: -1116.792929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.792929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.592929 (E_RNA)
where:
Base-Base interactions energy: -653.212
where: short stacking energy: -261.065
Base-Backbone interact. energy: 1.907
local terms energy: -278.287846
where:
bonds (distance) C4'-P energy: -64.152
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -52.609
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -975.122641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.122641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.922641 (E_RNA)
where:
Base-Base interactions energy: -536.931
where: short stacking energy: -200.652
Base-Backbone interact. energy: -2.147
local terms energy: -266.844946
where:
bonds (distance) C4'-P energy: -57.368
bonds (distance) P-C4' energy: -71.073
flat angles C4'-P-C4' energy: -65.603
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: -40.963
Dist. restrs. and SS energy: -169.200 (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: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -933.616710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.616710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.816710 (E_RNA)
where:
Base-Base interactions energy: -546.245
where: short stacking energy: -229.614
Base-Backbone interact. energy: -0.309
local terms energy: -223.263164
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -52.133
flat angles C4'-P-C4' energy: -57.793
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -43.663
Dist. restrs. and SS energy: -163.800 (S_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: 103
Temperature: 0.900000
Total energy: -1443.268529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.268529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.468529 (E_RNA)
where:
Base-Base interactions energy: -863.463
where: short stacking energy: -357.474
Base-Backbone interact. energy: -2.227
local terms energy: -368.778466
where:
bonds (distance) C4'-P energy: -68.310
bonds (distance) P-C4' energy: -65.796
flat angles C4'-P-C4' energy: -81.394
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -99.116
Dist. restrs. and SS energy: -208.800 (S_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: -1391.683145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.683145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.083145 (E_RNA)
where:
Base-Base interactions energy: -829.668
where: short stacking energy: -347.713
Base-Backbone interact. energy: -3.143
local terms energy: -357.271997
where:
bonds (distance) C4'-P energy: -66.170
bonds (distance) P-C4' energy: -65.738
flat angles C4'-P-C4' energy: -84.890
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -83.644
Dist. restrs. and SS energy: -201.600 (S_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: 103
Temperature: 1.000000
Total energy: -1368.073239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.073239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.273239 (E_RNA)
where:
Base-Base interactions energy: -823.856
where: short stacking energy: -317.822
Base-Backbone interact. energy: -1.366
local terms energy: -352.052128
where:
bonds (distance) C4'-P energy: -74.138
bonds (distance) P-C4' energy: -72.004
flat angles C4'-P-C4' energy: -81.096
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -83.311
Dist. restrs. and SS energy: -190.800 (S_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: 103
Temperature: 1.050000
Total energy: -1315.669520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.669520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.669520 (E_RNA)
where:
Base-Base interactions energy: -767.763
where: short stacking energy: -315.949
Base-Backbone interact. energy: -2.414
local terms energy: -347.492364
where:
bonds (distance) C4'-P energy: -79.197
bonds (distance) P-C4' energy: -64.666
flat angles C4'-P-C4' energy: -75.110
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -83.508
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1242.745900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.745900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.345900 (E_RNA)
where:
Base-Base interactions energy: -715.931
where: short stacking energy: -301.788
Base-Backbone interact. energy: 0.734
local terms energy: -315.149204
where:
bonds (distance) C4'-P energy: -68.209
bonds (distance) P-C4' energy: -61.627
flat angles C4'-P-C4' energy: -64.083
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -82.750
Dist. restrs. and SS energy: -212.400 (S_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: -1215.233660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.233660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.433660 (E_RNA)
where:
Base-Base interactions energy: -700.895
where: short stacking energy: -287.386
Base-Backbone interact. energy: -2.160
local terms energy: -303.378409
where:
bonds (distance) C4'-P energy: -54.487
bonds (distance) P-C4' energy: -72.921
flat angles C4'-P-C4' energy: -63.789
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -68.364
Dist. restrs. and SS energy: -208.800 (S_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: -1149.238517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.238517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.438517 (E_RNA)
where:
Base-Base interactions energy: -649.324
where: short stacking energy: -271.898
Base-Backbone interact. energy: -3.612
local terms energy: -314.502899
where:
bonds (distance) C4'-P energy: -72.913
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -37.150
tors. eta vs tors. theta energy: -80.744
Dist. restrs. and SS energy: -181.800 (S_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: 103
Temperature: 1.250000
Total energy: -1100.355215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.355215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.355215 (E_RNA)
where:
Base-Base interactions energy: -645.731
where: short stacking energy: -252.834
Base-Backbone interact. energy: -0.621
local terms energy: -265.002968
where:
bonds (distance) C4'-P energy: -61.545
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -50.383
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -52.116
Dist. restrs. and SS energy: -189.000 (S_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: 103
Temperature: 1.300000
Total energy: -1018.415301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.415301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.615301 (E_RNA)
where:
Base-Base interactions energy: -565.503
where: short stacking energy: -214.551
Base-Backbone interact. energy: -1.916
local terms energy: -269.197108
where:
bonds (distance) C4'-P energy: -67.378
bonds (distance) P-C4' energy: -69.528
flat angles C4'-P-C4' energy: -52.630
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -36.759
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -985.645595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.645595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.245595 (E_RNA)
where:
Base-Base interactions energy: -562.553
where: short stacking energy: -236.070
Base-Backbone interact. energy: -3.517
local terms energy: -261.175504
where:
bonds (distance) C4'-P energy: -55.847
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -49.809
Dist. restrs. and SS energy: -158.400 (S_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: 104
Temperature: 0.900000
Total energy: -1443.744942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.744942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.744942 (E_RNA)
where:
Base-Base interactions energy: -856.098
where: short stacking energy: -356.485
Base-Backbone interact. energy: -0.182
local terms energy: -380.464967
where:
bonds (distance) C4'-P energy: -80.047
bonds (distance) P-C4' energy: -71.345
flat angles C4'-P-C4' energy: -84.805
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: -98.099
Dist. restrs. and SS energy: -207.000 (S_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: -1365.266363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.266363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.666363 (E_RNA)
where:
Base-Base interactions energy: -799.091
where: short stacking energy: -324.200
Base-Backbone interact. energy: -3.173
local terms energy: -361.402832
where:
bonds (distance) C4'-P energy: -66.381
bonds (distance) P-C4' energy: -71.180
flat angles C4'-P-C4' energy: -81.437
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -87.772
Dist. restrs. and SS energy: -201.600 (S_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: 104
Temperature: 1.000000
Total energy: -1379.452748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.452748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.852748 (E_RNA)
where:
Base-Base interactions energy: -839.249
where: short stacking energy: -345.838
Base-Backbone interact. energy: -1.994
local terms energy: -345.609820
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -76.103
flat angles P-C4'-P energy: -55.862
tors. eta vs tors. theta energy: -85.903
Dist. restrs. and SS energy: -192.600 (S_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: 104
Temperature: 1.050000
Total energy: -1304.084460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.084460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.484460 (E_RNA)
where:
Base-Base interactions energy: -765.845
where: short stacking energy: -319.747
Base-Backbone interact. energy: -1.643
local terms energy: -334.997031
where:
bonds (distance) C4'-P energy: -70.958
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -74.994
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -81.474
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1260.882088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.882088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.482088 (E_RNA)
where:
Base-Base interactions energy: -715.910
where: short stacking energy: -288.194
Base-Backbone interact. energy: -1.242
local terms energy: -331.330109
where:
bonds (distance) C4'-P energy: -65.500
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -72.086
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -87.355
Dist. restrs. and SS energy: -212.400 (S_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: -1175.816230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.816230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.216230 (E_RNA)
where:
Base-Base interactions energy: -666.736
where: short stacking energy: -258.826
Base-Backbone interact. energy: 1.111
local terms energy: -308.590732
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -74.294
flat angles C4'-P-C4' energy: -61.633
flat angles P-C4'-P energy: -45.881
tors. eta vs tors. theta energy: -67.247
Dist. restrs. and SS energy: -201.600 (S_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: -1134.054880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.054880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.254880 (E_RNA)
where:
Base-Base interactions energy: -661.787
where: short stacking energy: -285.939
Base-Backbone interact. energy: 0.256
local terms energy: -290.723963
where:
bonds (distance) C4'-P energy: -54.142
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -58.777
flat angles P-C4'-P energy: -37.166
tors. eta vs tors. theta energy: -72.551
Dist. restrs. and SS energy: -181.800 (S_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: 104
Temperature: 1.250000
Total energy: -1111.744577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.744577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.944577 (E_RNA)
where:
Base-Base interactions energy: -635.863
where: short stacking energy: -255.134
Base-Backbone interact. energy: 6.412
local terms energy: -291.493378
where:
bonds (distance) C4'-P energy: -66.536
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -61.320
Dist. restrs. and SS energy: -190.800 (S_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: 104
Temperature: 1.300000
Total energy: -1041.219162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.219162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.819162 (E_RNA)
where:
Base-Base interactions energy: -569.680
where: short stacking energy: -240.459
Base-Backbone interact. energy: -1.468
local terms energy: -284.671863
where:
bonds (distance) C4'-P energy: -62.140
bonds (distance) P-C4' energy: -52.526
flat angles C4'-P-C4' energy: -66.056
flat angles P-C4'-P energy: -48.357
tors. eta vs tors. theta energy: -55.593
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -967.403064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.403064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.603064 (E_RNA)
where:
Base-Base interactions energy: -561.060
where: short stacking energy: -231.779
Base-Backbone interact. energy: -1.894
local terms energy: -249.648908
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -57.528
flat angles C4'-P-C4' energy: -55.994
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -50.148
Dist. restrs. and SS energy: -154.800 (S_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: 105
Temperature: 0.900000
Total energy: -1442.234186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.234186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.234186 (E_RNA)
where:
Base-Base interactions energy: -867.972
where: short stacking energy: -365.218
Base-Backbone interact. energy: -0.482
local terms energy: -366.780142
where:
bonds (distance) C4'-P energy: -71.768
bonds (distance) P-C4' energy: -64.350
flat angles C4'-P-C4' energy: -81.388
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -98.870
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1392.773720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.773720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.173720 (E_RNA)
where:
Base-Base interactions energy: -837.012
where: short stacking energy: -338.858
Base-Backbone interact. energy: 1.650
local terms energy: -355.812051
where:
bonds (distance) C4'-P energy: -71.455
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -89.011
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -91.778
Dist. restrs. and SS energy: -201.600 (S_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: -1330.798999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.798999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.998999 (E_RNA)
where:
Base-Base interactions energy: -779.377
where: short stacking energy: -317.585
Base-Backbone interact. energy: -2.812
local terms energy: -348.810502
where:
bonds (distance) C4'-P energy: -72.865
bonds (distance) P-C4' energy: -66.833
flat angles C4'-P-C4' energy: -81.332
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -82.221
Dist. restrs. and SS energy: -199.800 (S_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: 105
Temperature: 1.050000
Total energy: -1320.912818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.912818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.112818 (E_RNA)
where:
Base-Base interactions energy: -782.910
where: short stacking energy: -320.526
Base-Backbone interact. energy: -2.862
local terms energy: -335.340401
where:
bonds (distance) C4'-P energy: -65.408
bonds (distance) P-C4' energy: -62.170
flat angles C4'-P-C4' energy: -69.560
flat angles P-C4'-P energy: -60.740
tors. eta vs tors. theta energy: -77.462
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1265.332601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.332601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.132601 (E_RNA)
where:
Base-Base interactions energy: -727.677
where: short stacking energy: -301.082
Base-Backbone interact. energy: 3.011
local terms energy: -326.465907
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -74.122
flat angles P-C4'-P energy: -49.581
tors. eta vs tors. theta energy: -75.934
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1185.359634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.359634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.159634 (E_RNA)
where:
Base-Base interactions energy: -683.121
where: short stacking energy: -296.163
Base-Backbone interact. energy: 2.060
local terms energy: -317.098791
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -51.806
flat angles C4'-P-C4' energy: -74.702
flat angles P-C4'-P energy: -59.906
tors. eta vs tors. theta energy: -72.236
Dist. restrs. and SS energy: -187.200 (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: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1119.178283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.178283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.578283 (E_RNA)
where:
Base-Base interactions energy: -631.378
where: short stacking energy: -270.442
Base-Backbone interact. energy: -0.128
local terms energy: -286.072010
where:
bonds (distance) C4'-P energy: -64.937
bonds (distance) P-C4' energy: -61.344
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -58.741
Dist. restrs. and SS energy: -201.600 (S_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: 105
Temperature: 1.250000
Total energy: -1071.386700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.386700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.586700 (E_RNA)
where:
Base-Base interactions energy: -612.364
where: short stacking energy: -240.519
Base-Backbone interact. energy: -0.988
local terms energy: -285.234822
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -65.250
flat angles C4'-P-C4' energy: -71.547
flat angles P-C4'-P energy: -39.452
tors. eta vs tors. theta energy: -53.904
Dist. restrs. and SS energy: -172.800 (S_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: 105
Temperature: 1.300000
Total energy: -1066.415277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.415277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.015277 (E_RNA)
where:
Base-Base interactions energy: -620.219
where: short stacking energy: -220.282
Base-Backbone interact. energy: 1.989
local terms energy: -262.785407
where:
bonds (distance) C4'-P energy: -46.659
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -78.395
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -43.044
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -962.788991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.788991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.988991 (E_RNA)
where:
Base-Base interactions energy: -550.240
where: short stacking energy: -211.494
Base-Backbone interact. energy: -1.867
local terms energy: -246.882272
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -64.659
flat angles C4'-P-C4' energy: -60.490
flat angles P-C4'-P energy: -33.300
tors. eta vs tors. theta energy: -33.451
Dist. restrs. and SS energy: -163.800 (S_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: -1457.509814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.509814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.509814 (E_RNA)
where:
Base-Base interactions energy: -874.846
where: short stacking energy: -371.748
Base-Backbone interact. energy: -2.377
local terms energy: -373.287399
where:
bonds (distance) C4'-P energy: -79.567
bonds (distance) P-C4' energy: -71.661
flat angles C4'-P-C4' energy: -69.615
flat angles P-C4'-P energy: -58.607
tors. eta vs tors. theta energy: -93.838
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1375.508205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.508205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.908205 (E_RNA)
where:
Base-Base interactions energy: -837.196
where: short stacking energy: -335.809
Base-Backbone interact. energy: 0.178
local terms energy: -336.889406
where:
bonds (distance) C4'-P energy: -64.044
bonds (distance) P-C4' energy: -61.983
flat angles C4'-P-C4' energy: -76.894
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -90.905
Dist. restrs. and SS energy: -201.600 (S_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: 106
Temperature: 1.000000
Total energy: -1344.185733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.185733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.985733 (E_RNA)
where:
Base-Base interactions energy: -806.493
where: short stacking energy: -343.539
Base-Backbone interact. energy: 0.558
local terms energy: -342.051004
where:
bonds (distance) C4'-P energy: -68.110
bonds (distance) P-C4' energy: -65.023
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -91.285
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1337.601120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.601120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.001120 (E_RNA)
where:
Base-Base interactions energy: -784.094
where: short stacking energy: -337.807
Base-Backbone interact. energy: -1.680
local terms energy: -350.227606
where:
bonds (distance) C4'-P energy: -68.563
bonds (distance) P-C4' energy: -71.741
flat angles C4'-P-C4' energy: -67.723
flat angles P-C4'-P energy: -51.226
tors. eta vs tors. theta energy: -90.975
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1252.714750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.714750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.514750 (E_RNA)
where:
Base-Base interactions energy: -730.870
where: short stacking energy: -296.516
Base-Backbone interact. energy: -0.461
local terms energy: -307.183472
where:
bonds (distance) C4'-P energy: -68.803
bonds (distance) P-C4' energy: -62.647
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -64.013
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1170.951637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.951637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.751637 (E_RNA)
where:
Base-Base interactions energy: -680.298
where: short stacking energy: -287.645
Base-Backbone interact. energy: 3.090
local terms energy: -315.543259
where:
bonds (distance) C4'-P energy: -62.424
bonds (distance) P-C4' energy: -60.567
flat angles C4'-P-C4' energy: -68.021
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -71.385
Dist. restrs. and SS energy: -178.200 (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: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1176.840627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.840627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.440627 (E_RNA)
where:
Base-Base interactions energy: -681.459
where: short stacking energy: -276.670
Base-Backbone interact. energy: -1.254
local terms energy: -290.727827
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -63.110
flat angles C4'-P-C4' energy: -64.767
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -64.873
Dist. restrs. and SS energy: -203.400 (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: 106
Temperature: 1.250000
Total energy: -1067.778540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.778540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.978540 (E_RNA)
where:
Base-Base interactions energy: -588.829
where: short stacking energy: -256.079
Base-Backbone interact. energy: -1.896
local terms energy: -295.253601
where:
bonds (distance) C4'-P energy: -74.070
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -55.181
Dist. restrs. and SS energy: -181.800 (S_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: 106
Temperature: 1.300000
Total energy: -1032.985683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.985683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.985683 (E_RNA)
where:
Base-Base interactions energy: -601.931
where: short stacking energy: -236.136
Base-Backbone interact. energy: 1.045
local terms energy: -261.099360
where:
bonds (distance) C4'-P energy: -54.434
bonds (distance) P-C4' energy: -56.267
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -36.282
tors. eta vs tors. theta energy: -50.989
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -949.285450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.285450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.285450 (E_RNA)
where:
Base-Base interactions energy: -537.969
where: short stacking energy: -204.880
Base-Backbone interact. energy: -1.581
local terms energy: -247.735526
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -44.790
Dist. restrs. and SS energy: -162.000 (S_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: -1457.688399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.688399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.688399 (E_RNA)
where:
Base-Base interactions energy: -874.796
where: short stacking energy: -337.185
Base-Backbone interact. energy: -0.275
local terms energy: -375.616951
where:
bonds (distance) C4'-P energy: -84.555
bonds (distance) P-C4' energy: -72.707
flat angles C4'-P-C4' energy: -74.278
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -89.361
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1401.055707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.055707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.255707 (E_RNA)
where:
Base-Base interactions energy: -831.458
where: short stacking energy: -349.752
Base-Backbone interact. energy: -2.313
local terms energy: -367.485128
where:
bonds (distance) C4'-P energy: -73.045
bonds (distance) P-C4' energy: -68.455
flat angles C4'-P-C4' energy: -75.969
flat angles P-C4'-P energy: -59.906
tors. eta vs tors. theta energy: -90.111
Dist. restrs. and SS energy: -199.800 (S_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: 107
Temperature: 1.000000
Total energy: -1361.360538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.360538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.560538 (E_RNA)
where:
Base-Base interactions energy: -813.869
where: short stacking energy: -321.609
Base-Backbone interact. energy: 0.580
local terms energy: -348.271426
where:
bonds (distance) C4'-P energy: -62.952
bonds (distance) P-C4' energy: -76.776
flat angles C4'-P-C4' energy: -72.275
flat angles P-C4'-P energy: -47.014
tors. eta vs tors. theta energy: -89.255
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1346.691246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.691246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.891246 (E_RNA)
where:
Base-Base interactions energy: -797.666
where: short stacking energy: -341.348
Base-Backbone interact. energy: -2.352
local terms energy: -346.873369
where:
bonds (distance) C4'-P energy: -65.769
bonds (distance) P-C4' energy: -67.839
flat angles C4'-P-C4' energy: -79.803
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -89.046
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1265.066028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.066028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.466028 (E_RNA)
where:
Base-Base interactions energy: -733.008
where: short stacking energy: -307.166
Base-Backbone interact. energy: 0.920
local terms energy: -322.378615
where:
bonds (distance) C4'-P energy: -69.813
bonds (distance) P-C4' energy: -70.915
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -73.521
Dist. restrs. and SS energy: -210.600 (S_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: 107
Temperature: 1.150000
Total energy: -1235.071271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.071271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.671271 (E_RNA)
where:
Base-Base interactions energy: -717.776
where: short stacking energy: -284.012
Base-Backbone interact. energy: 2.481
local terms energy: -316.376931
where:
bonds (distance) C4'-P energy: -67.063
bonds (distance) P-C4' energy: -61.813
flat angles C4'-P-C4' energy: -74.359
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -64.979
Dist. restrs. and SS energy: -203.400 (S_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: 107
Temperature: 1.200000
Total energy: -1161.897164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.897164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.297164 (E_RNA)
where:
Base-Base interactions energy: -659.597
where: short stacking energy: -247.607
Base-Backbone interact. energy: 0.863
local terms energy: -301.563558
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -71.788
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -63.108
Dist. restrs. and SS energy: -201.600 (S_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: 107
Temperature: 1.250000
Total energy: -1050.246705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.246705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.246705 (E_RNA)
where:
Base-Base interactions energy: -588.061
where: short stacking energy: -237.578
Base-Backbone interact. energy: -1.656
local terms energy: -280.529949
where:
bonds (distance) C4'-P energy: -50.901
bonds (distance) P-C4' energy: -62.623
flat angles C4'-P-C4' energy: -71.107
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -51.931
Dist. restrs. and SS energy: -180.000 (S_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: 107
Temperature: 1.300000
Total energy: -1061.346989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.346989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.146989 (E_RNA)
where:
Base-Base interactions energy: -595.326
where: short stacking energy: -230.119
Base-Backbone interact. energy: -0.527
local terms energy: -278.293749
where:
bonds (distance) C4'-P energy: -58.971
bonds (distance) P-C4' energy: -72.416
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -44.254
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -929.807773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.807773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.807773 (E_RNA)
where:
Base-Base interactions energy: -527.017
where: short stacking energy: -232.921
Base-Backbone interact. energy: -0.807
local terms energy: -239.983871
where:
bonds (distance) C4'-P energy: -46.964
bonds (distance) P-C4' energy: -68.799
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -37.836
Dist. restrs. and SS energy: -162.000 (S_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: 108
Temperature: 0.900000
Total energy: -1435.179736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.179736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.379736 (E_RNA)
where:
Base-Base interactions energy: -863.821
where: short stacking energy: -362.656
Base-Backbone interact. energy: -2.405
local terms energy: -360.153661
where:
bonds (distance) C4'-P energy: -71.773
bonds (distance) P-C4' energy: -68.670
flat angles C4'-P-C4' energy: -77.195
flat angles P-C4'-P energy: -52.928
tors. eta vs tors. theta energy: -89.588
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1366.414355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.414355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.814355 (E_RNA)
where:
Base-Base interactions energy: -814.121
where: short stacking energy: -318.505
Base-Backbone interact. energy: 0.339
local terms energy: -351.032589
where:
bonds (distance) C4'-P energy: -64.277
bonds (distance) P-C4' energy: -71.010
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -51.164
tors. eta vs tors. theta energy: -80.743
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1354.935973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.935973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.135973 (E_RNA)
where:
Base-Base interactions energy: -816.449
where: short stacking energy: -334.232
Base-Backbone interact. energy: -0.210
local terms energy: -338.476498
where:
bonds (distance) C4'-P energy: -69.474
bonds (distance) P-C4' energy: -66.996
flat angles C4'-P-C4' energy: -73.521
flat angles P-C4'-P energy: -48.759
tors. eta vs tors. theta energy: -79.726
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1334.426757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.426757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.826757 (E_RNA)
where:
Base-Base interactions energy: -797.747
where: short stacking energy: -310.556
Base-Backbone interact. energy: 1.801
local terms energy: -336.880954
where:
bonds (distance) C4'-P energy: -61.895
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -55.092
tors. eta vs tors. theta energy: -80.194
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1272.561660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.561660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.961660 (E_RNA)
where:
Base-Base interactions energy: -724.579
where: short stacking energy: -295.158
Base-Backbone interact. energy: 1.454
local terms energy: -338.836545
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -77.055
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -77.243
Dist. restrs. and SS energy: -210.600 (S_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: 108
Temperature: 1.150000
Total energy: -1215.053099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.053099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.053099 (E_RNA)
where:
Base-Base interactions energy: -697.468
where: short stacking energy: -279.449
Base-Backbone interact. energy: 1.826
local terms energy: -312.411390
where:
bonds (distance) C4'-P energy: -61.816
bonds (distance) P-C4' energy: -69.891
flat angles C4'-P-C4' energy: -68.188
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -73.892
Dist. restrs. and SS energy: -207.000 (S_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: 108
Temperature: 1.200000
Total energy: -1186.825374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.825374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.225374 (E_RNA)
where:
Base-Base interactions energy: -681.863
where: short stacking energy: -277.346
Base-Backbone interact. energy: -0.845
local terms energy: -311.517644
where:
bonds (distance) C4'-P energy: -53.736
bonds (distance) P-C4' energy: -61.005
flat angles C4'-P-C4' energy: -64.788
flat angles P-C4'-P energy: -56.696
tors. eta vs tors. theta energy: -75.293
Dist. restrs. and SS energy: -192.600 (S_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: -1048.238353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.238353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.438353 (E_RNA)
where:
Base-Base interactions energy: -596.660
where: short stacking energy: -237.830
Base-Backbone interact. energy: -1.336
local terms energy: -268.441623
where:
bonds (distance) C4'-P energy: -71.727
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -58.235
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -45.545
Dist. restrs. and SS energy: -181.800 (S_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: 108
Temperature: 1.300000
Total energy: -1029.176508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.176508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.976508 (E_RNA)
where:
Base-Base interactions energy: -587.824
where: short stacking energy: -228.170
Base-Backbone interact. energy: -1.836
local terms energy: -252.317076
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -68.679
flat angles P-C4'-P energy: -25.824
tors. eta vs tors. theta energy: -52.019
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -920.027609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.027609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.427609 (E_RNA)
where:
Base-Base interactions energy: -517.345
where: short stacking energy: -225.739
Base-Backbone interact. energy: 2.544
local terms energy: -248.626746
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -55.877
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -35.780
tors. eta vs tors. theta energy: -46.505
Dist. restrs. and SS energy: -156.600 (S_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: 109
Temperature: 0.900000
Total energy: -1418.753057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.753057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.753057 (E_RNA)
where:
Base-Base interactions energy: -834.457
where: short stacking energy: -345.534
Base-Backbone interact. energy: -2.495
local terms energy: -374.800866
where:
bonds (distance) C4'-P energy: -60.531
bonds (distance) P-C4' energy: -78.168
flat angles C4'-P-C4' energy: -80.118
flat angles P-C4'-P energy: -65.246
tors. eta vs tors. theta energy: -90.737
Dist. restrs. and SS energy: -207.000 (S_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: 109
Temperature: 0.950000
Total energy: -1389.612718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.612718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.012718 (E_RNA)
where:
Base-Base interactions energy: -837.425
where: short stacking energy: -323.135
Base-Backbone interact. energy: -2.238
local terms energy: -348.350024
where:
bonds (distance) C4'-P energy: -65.003
bonds (distance) P-C4' energy: -77.158
flat angles C4'-P-C4' energy: -70.284
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -90.739
Dist. restrs. and SS energy: -201.600 (S_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: 109
Temperature: 1.000000
Total energy: -1320.618977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.618977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.818977 (E_RNA)
where:
Base-Base interactions energy: -781.633
where: short stacking energy: -332.179
Base-Backbone interact. energy: 2.977
local terms energy: -342.163807
where:
bonds (distance) C4'-P energy: -62.601
bonds (distance) P-C4' energy: -72.650
flat angles C4'-P-C4' energy: -71.200
flat angles P-C4'-P energy: -53.629
tors. eta vs tors. theta energy: -82.084
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1327.270443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.270443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.270443 (E_RNA)
where:
Base-Base interactions energy: -791.441
where: short stacking energy: -316.184
Base-Backbone interact. energy: -2.142
local terms energy: -335.687096
where:
bonds (distance) C4'-P energy: -69.463
bonds (distance) P-C4' energy: -73.249
flat angles C4'-P-C4' energy: -70.951
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -70.026
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1295.351279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.351279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.351279 (E_RNA)
where:
Base-Base interactions energy: -758.666
where: short stacking energy: -303.964
Base-Backbone interact. energy: -0.289
local terms energy: -320.395583
where:
bonds (distance) C4'-P energy: -58.254
bonds (distance) P-C4' energy: -66.169
flat angles C4'-P-C4' energy: -68.617
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -83.202
Dist. restrs. and SS energy: -216.000 (S_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: 109
Temperature: 1.150000
Total energy: -1220.854136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.854136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.254136 (E_RNA)
where:
Base-Base interactions energy: -728.725
where: short stacking energy: -288.151
Base-Backbone interact. energy: -1.243
local terms energy: -289.285459
where:
bonds (distance) C4'-P energy: -57.858
bonds (distance) P-C4' energy: -67.123
flat angles C4'-P-C4' energy: -57.797
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -68.612
Dist. restrs. and SS energy: -201.600 (S_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: -1155.780656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.780656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.980656 (E_RNA)
where:
Base-Base interactions energy: -654.680
where: short stacking energy: -267.196
Base-Backbone interact. energy: -1.647
local terms energy: -308.653166
where:
bonds (distance) C4'-P energy: -56.148
bonds (distance) P-C4' energy: -59.482
flat angles C4'-P-C4' energy: -79.316
flat angles P-C4'-P energy: -44.665
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: -190.800 (S_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: -1032.354979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.354979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.954979 (E_RNA)
where:
Base-Base interactions energy: -588.800
where: short stacking energy: -243.630
Base-Backbone interact. energy: 0.921
local terms energy: -259.075730
where:
bonds (distance) C4'-P energy: -60.549
bonds (distance) P-C4' energy: -60.248
flat angles C4'-P-C4' energy: -62.955
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -41.826
Dist. restrs. and SS energy: -185.400 (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: 109
Temperature: 1.300000
Total energy: -1103.111861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.111861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.911861 (E_RNA)
where:
Base-Base interactions energy: -635.631
where: short stacking energy: -237.853
Base-Backbone interact. energy: 0.413
local terms energy: -280.694447
where:
bonds (distance) C4'-P energy: -52.949
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -68.241
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -42.908
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -939.478847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.478847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.678847 (E_RNA)
where:
Base-Base interactions energy: -516.655
where: short stacking energy: -212.346
Base-Backbone interact. energy: 2.489
local terms energy: -261.513260
where:
bonds (distance) C4'-P energy: -56.272
bonds (distance) P-C4' energy: -74.807
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -41.329
Dist. restrs. and SS energy: -163.800 (S_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: -1432.720695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.720695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.920695 (E_RNA)
where:
Base-Base interactions energy: -850.264
where: short stacking energy: -352.975
Base-Backbone interact. energy: -1.803
local terms energy: -371.853726
where:
bonds (distance) C4'-P energy: -69.817
bonds (distance) P-C4' energy: -72.492
flat angles C4'-P-C4' energy: -76.874
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -96.988
Dist. restrs. and SS energy: -208.800 (S_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: -1394.969668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.969668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.369668 (E_RNA)
where:
Base-Base interactions energy: -840.029
where: short stacking energy: -362.865
Base-Backbone interact. energy: -0.805
local terms energy: -352.535105
where:
bonds (distance) C4'-P energy: -57.961
bonds (distance) P-C4' energy: -76.053
flat angles C4'-P-C4' energy: -73.233
flat angles P-C4'-P energy: -54.907
tors. eta vs tors. theta energy: -90.382
Dist. restrs. and SS energy: -201.600 (S_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: 110
Temperature: 1.000000
Total energy: -1385.416758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.416758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.616758 (E_RNA)
where:
Base-Base interactions energy: -848.132
where: short stacking energy: -326.732
Base-Backbone interact. energy: -0.507
local terms energy: -336.977868
where:
bonds (distance) C4'-P energy: -63.131
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -86.642
Dist. restrs. and SS energy: -199.800 (S_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: 110
Temperature: 1.050000
Total energy: -1304.305224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.305224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.305224 (E_RNA)
where:
Base-Base interactions energy: -772.613
where: short stacking energy: -322.443
Base-Backbone interact. energy: 0.057
local terms energy: -333.748640
where:
bonds (distance) C4'-P energy: -56.701
bonds (distance) P-C4' energy: -69.278
flat angles C4'-P-C4' energy: -78.165
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -86.891
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1302.194750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.194750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.794750 (E_RNA)
where:
Base-Base interactions energy: -759.386
where: short stacking energy: -316.280
Base-Backbone interact. energy: -0.477
local terms energy: -329.932269
where:
bonds (distance) C4'-P energy: -67.324
bonds (distance) P-C4' energy: -60.034
flat angles C4'-P-C4' energy: -73.340
flat angles P-C4'-P energy: -51.763
tors. eta vs tors. theta energy: -77.471
Dist. restrs. and SS energy: -212.400 (S_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: 110
Temperature: 1.150000
Total energy: -1219.648947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.648947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.648947 (E_RNA)
where:
Base-Base interactions energy: -681.997
where: short stacking energy: -299.148
Base-Backbone interact. energy: 1.541
local terms energy: -332.192484
where:
bonds (distance) C4'-P energy: -66.471
bonds (distance) P-C4' energy: -67.643
flat angles C4'-P-C4' energy: -76.212
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -75.699
Dist. restrs. and SS energy: -207.000 (S_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: -1199.112523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.112523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.512523 (E_RNA)
where:
Base-Base interactions energy: -691.696
where: short stacking energy: -273.120
Base-Backbone interact. energy: -3.162
local terms energy: -311.654877
where:
bonds (distance) C4'-P energy: -64.100
bonds (distance) P-C4' energy: -54.392
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -54.033
tors. eta vs tors. theta energy: -76.611
Dist. restrs. and SS energy: -192.600 (S_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: -1037.876408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.876408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.876408 (E_RNA)
where:
Base-Base interactions energy: -582.581
where: short stacking energy: -241.728
Base-Backbone interact. energy: -1.236
local terms energy: -274.059493
where:
bonds (distance) C4'-P energy: -48.803
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -66.520
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -56.478
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -978.761615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.761615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.961615 (E_RNA)
where:
Base-Base interactions energy: -541.031
where: short stacking energy: -214.829
Base-Backbone interact. energy: -0.297
local terms energy: -273.632691
where:
bonds (distance) C4'-P energy: -54.967
bonds (distance) P-C4' energy: -63.968
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -45.200
tors. eta vs tors. theta energy: -47.600
Dist. restrs. and SS energy: -163.800 (S_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: 110
Temperature: 1.350000
Total energy: -1091.012192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.012192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.412192 (E_RNA)
where:
Base-Base interactions energy: -632.807
where: short stacking energy: -238.214
Base-Backbone interact. energy: -3.448
local terms energy: -262.158039
where:
bonds (distance) C4'-P energy: -50.780
bonds (distance) P-C4' energy: -52.573
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -57.336
Dist. restrs. and SS energy: -192.600 (S_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: -1455.136517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.136517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.336517 (E_RNA)
where:
Base-Base interactions energy: -881.417
where: short stacking energy: -357.291
Base-Backbone interact. energy: -2.584
local terms energy: -362.335728
where:
bonds (distance) C4'-P energy: -71.410
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -80.095
flat angles P-C4'-P energy: -53.435
tors. eta vs tors. theta energy: -90.336
Dist. restrs. and SS energy: -208.800 (S_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: -1416.062454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.062454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.862454 (E_RNA)
where:
Base-Base interactions energy: -854.067
where: short stacking energy: -349.268
Base-Backbone interact. energy: -1.489
local terms energy: -364.306432
where:
bonds (distance) C4'-P energy: -74.924
bonds (distance) P-C4' energy: -62.840
flat angles C4'-P-C4' energy: -83.160
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -94.039
Dist. restrs. and SS energy: -196.200 (S_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: 111
Temperature: 1.000000
Total energy: -1377.306905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.306905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.506905 (E_RNA)
where:
Base-Base interactions energy: -839.515
where: short stacking energy: -333.389
Base-Backbone interact. energy: -1.128
local terms energy: -336.863917
where:
bonds (distance) C4'-P energy: -61.136
bonds (distance) P-C4' energy: -63.658
flat angles C4'-P-C4' energy: -70.020
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -87.481
Dist. restrs. and SS energy: -199.800 (S_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: 111
Temperature: 1.050000
Total energy: -1303.256111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.256111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.456111 (E_RNA)
where:
Base-Base interactions energy: -762.612
where: short stacking energy: -327.150
Base-Backbone interact. energy: -0.581
local terms energy: -340.262489
where:
bonds (distance) C4'-P energy: -66.778
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -73.318
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -89.534
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1296.249776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.249776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.849776 (E_RNA)
where:
Base-Base interactions energy: -767.369
where: short stacking energy: -334.587
Base-Backbone interact. energy: -0.944
local terms energy: -324.536433
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -60.102
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -93.292
Dist. restrs. and SS energy: -203.400 (S_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: 111
Temperature: 1.150000
Total energy: -1240.939795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.939795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.739795 (E_RNA)
where:
Base-Base interactions energy: -698.869
where: short stacking energy: -292.701
Base-Backbone interact. energy: -0.020
local terms energy: -336.850600
where:
bonds (distance) C4'-P energy: -64.283
bonds (distance) P-C4' energy: -73.801
flat angles C4'-P-C4' energy: -74.262
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: -84.046
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1159.121787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.121787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.521787 (E_RNA)
where:
Base-Base interactions energy: -655.072
where: short stacking energy: -265.309
Base-Backbone interact. energy: 0.160
local terms energy: -302.609245
where:
bonds (distance) C4'-P energy: -55.397
bonds (distance) P-C4' energy: -75.329
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -56.996
tors. eta vs tors. theta energy: -57.420
Dist. restrs. and SS energy: -201.600 (S_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: 111
Temperature: 1.250000
Total energy: -1079.546958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.546958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.146958 (E_RNA)
where:
Base-Base interactions energy: -594.681
where: short stacking energy: -240.687
Base-Backbone interact. energy: -0.187
local terms energy: -299.279581
where:
bonds (distance) C4'-P energy: -60.161
bonds (distance) P-C4' energy: -73.322
flat angles C4'-P-C4' energy: -65.226
flat angles P-C4'-P energy: -41.679
tors. eta vs tors. theta energy: -58.891
Dist. restrs. and SS energy: -185.400 (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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -962.389279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.389279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.389279 (E_RNA)
where:
Base-Base interactions energy: -513.494
where: short stacking energy: -227.662
Base-Backbone interact. energy: 1.007
local terms energy: -287.902640
where:
bonds (distance) C4'-P energy: -65.352
bonds (distance) P-C4' energy: -48.801
flat angles C4'-P-C4' energy: -66.128
flat angles P-C4'-P energy: -53.727
tors. eta vs tors. theta energy: -53.894
Dist. restrs. and SS energy: -162.000 (S_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: 111
Temperature: 1.350000
Total energy: -1066.003527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.003527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.203527 (E_RNA)
where:
Base-Base interactions energy: -616.044
where: short stacking energy: -247.490
Base-Backbone interact. energy: -0.379
local terms energy: -258.779832
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -51.900
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -49.528
Dist. restrs. and SS energy: -190.800 (S_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: 112
Temperature: 0.900000
Total energy: -1443.331291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.331291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.131291 (E_RNA)
where:
Base-Base interactions energy: -882.258
where: short stacking energy: -347.112
Base-Backbone interact. energy: -1.080
local terms energy: -354.793555
where:
bonds (distance) C4'-P energy: -71.780
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -74.111
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -93.308
Dist. restrs. and SS energy: -205.200 (S_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: 112
Temperature: 0.950000
Total energy: -1405.394457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.394457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.794457 (E_RNA)
where:
Base-Base interactions energy: -842.120
where: short stacking energy: -342.089
Base-Backbone interact. energy: -0.346
local terms energy: -361.328274
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -80.055
flat angles C4'-P-C4' energy: -80.925
flat angles P-C4'-P energy: -46.227
tors. eta vs tors. theta energy: -87.960
Dist. restrs. and SS energy: -201.600 (S_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: 112
Temperature: 1.000000
Total energy: -1340.715643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.715643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.115643 (E_RNA)
where:
Base-Base interactions energy: -806.830
where: short stacking energy: -311.232
Base-Backbone interact. energy: 0.737
local terms energy: -333.022191
where:
bonds (distance) C4'-P energy: -66.431
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -72.965
flat angles P-C4'-P energy: -52.794
tors. eta vs tors. theta energy: -78.598
Dist. restrs. and SS energy: -201.600 (S_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: 112
Temperature: 1.050000
Total energy: -1297.065650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.065650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.065650 (E_RNA)
where:
Base-Base interactions energy: -768.010
where: short stacking energy: -335.141
Base-Backbone interact. energy: -1.783
local terms energy: -329.272800
where:
bonds (distance) C4'-P energy: -50.373
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -81.199
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -82.078
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1287.146871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.146871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.746871 (E_RNA)
where:
Base-Base interactions energy: -740.418
where: short stacking energy: -313.050
Base-Backbone interact. energy: -0.879
local terms energy: -333.450058
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -76.242
flat angles C4'-P-C4' energy: -71.441
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -85.025
Dist. restrs. and SS energy: -212.400 (S_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: 112
Temperature: 1.150000
Total energy: -1273.196790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.196790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.996790 (E_RNA)
where:
Base-Base interactions energy: -734.846
where: short stacking energy: -298.022
Base-Backbone interact. energy: -1.178
local terms energy: -331.973160
where:
bonds (distance) C4'-P energy: -66.361
bonds (distance) P-C4' energy: -78.683
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -41.099
tors. eta vs tors. theta energy: -84.220
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1173.165053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.165053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.565053 (E_RNA)
where:
Base-Base interactions energy: -679.005
where: short stacking energy: -266.700
Base-Backbone interact. energy: 0.783
local terms energy: -293.342437
where:
bonds (distance) C4'-P energy: -64.681
bonds (distance) P-C4' energy: -72.940
flat angles C4'-P-C4' energy: -60.551
flat angles P-C4'-P energy: -32.833
tors. eta vs tors. theta energy: -62.339
Dist. restrs. and SS energy: -201.600 (S_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: 112
Temperature: 1.250000
Total energy: -1062.219493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.219493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.619493 (E_RNA)
where:
Base-Base interactions energy: -585.378
where: short stacking energy: -241.697
Base-Backbone interact. energy: -0.860
local terms energy: -292.381142
where:
bonds (distance) C4'-P energy: -71.690
bonds (distance) P-C4' energy: -57.802
flat angles C4'-P-C4' energy: -67.766
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -53.904
Dist. restrs. and SS energy: -183.600 (S_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: 112
Temperature: 1.300000
Total energy: -1077.508646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.508646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.708646 (E_RNA)
where:
Base-Base interactions energy: -615.261
where: short stacking energy: -245.579
Base-Backbone interact. energy: -1.785
local terms energy: -269.662459
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -64.152
flat angles C4'-P-C4' energy: -58.450
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -57.821
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -924.101828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.101828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.701828 (E_RNA)
where:
Base-Base interactions energy: -509.833
where: short stacking energy: -213.814
Base-Backbone interact. energy: 7.655
local terms energy: -263.524473
where:
bonds (distance) C4'-P energy: -68.493
bonds (distance) P-C4' energy: -60.932
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -41.344
Dist. restrs. and SS energy: -158.400 (S_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: 113
Temperature: 0.900000
Total energy: -1460.603672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.603672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.803672 (E_RNA)
where:
Base-Base interactions energy: -881.220
where: short stacking energy: -351.512
Base-Backbone interact. energy: -1.436
local terms energy: -369.147662
where:
bonds (distance) C4'-P energy: -67.659
bonds (distance) P-C4' energy: -75.340
flat angles C4'-P-C4' energy: -82.497
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: -94.519
Dist. restrs. and SS energy: -208.800 (S_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: 113
Temperature: 0.950000
Total energy: -1405.724013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.724013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.724013 (E_RNA)
where:
Base-Base interactions energy: -837.327
where: short stacking energy: -343.568
Base-Backbone interact. energy: -1.844
local terms energy: -368.552683
where:
bonds (distance) C4'-P energy: -69.893
bonds (distance) P-C4' energy: -79.990
flat angles C4'-P-C4' energy: -75.738
flat angles P-C4'-P energy: -49.153
tors. eta vs tors. theta energy: -93.778
Dist. restrs. and SS energy: -198.000 (S_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: 113
Temperature: 1.000000
Total energy: -1407.542622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.542622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.542622 (E_RNA)
where:
Base-Base interactions energy: -853.995
where: short stacking energy: -323.376
Base-Backbone interact. energy: 4.692
local terms energy: -360.239204
where:
bonds (distance) C4'-P energy: -66.396
bonds (distance) P-C4' energy: -76.853
flat angles C4'-P-C4' energy: -80.040
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -91.404
Dist. restrs. and SS energy: -198.000 (S_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: 113
Temperature: 1.050000
Total energy: -1305.939226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.939226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.139226 (E_RNA)
where:
Base-Base interactions energy: -735.079
where: short stacking energy: -317.941
Base-Backbone interact. energy: -1.667
local terms energy: -360.393322
where:
bonds (distance) C4'-P energy: -65.018
bonds (distance) P-C4' energy: -76.609
flat angles C4'-P-C4' energy: -81.828
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -87.928
Dist. restrs. and SS energy: -208.800 (S_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: 113
Temperature: 1.100000
Total energy: -1259.581649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.581649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.781649 (E_RNA)
where:
Base-Base interactions energy: -738.783
where: short stacking energy: -299.284
Base-Backbone interact. energy: 0.654
local terms energy: -321.651909
where:
bonds (distance) C4'-P energy: -63.655
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -74.802
flat angles P-C4'-P energy: -54.384
tors. eta vs tors. theta energy: -64.363
Dist. restrs. and SS energy: -199.800 (S_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: 113
Temperature: 1.150000
Total energy: -1261.890644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.890644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.490644 (E_RNA)
where:
Base-Base interactions energy: -738.750
where: short stacking energy: -287.479
Base-Backbone interact. energy: 1.107
local terms energy: -320.847423
where:
bonds (distance) C4'-P energy: -59.122
bonds (distance) P-C4' energy: -54.951
flat angles C4'-P-C4' energy: -80.846
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -81.080
Dist. restrs. and SS energy: -203.400 (S_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: 113
Temperature: 1.200000
Total energy: -1187.787956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.787956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.787956 (E_RNA)
where:
Base-Base interactions energy: -698.373
where: short stacking energy: -279.503
Base-Backbone interact. energy: -1.290
local terms energy: -281.125453
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -60.742
Dist. restrs. and SS energy: -207.000 (S_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: 113
Temperature: 1.250000
Total energy: -1117.415165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.415165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.815165 (E_RNA)
where:
Base-Base interactions energy: -638.293
where: short stacking energy: -253.758
Base-Backbone interact. energy: 0.676
local terms energy: -296.198966
where:
bonds (distance) C4'-P energy: -61.539
bonds (distance) P-C4' energy: -72.818
flat angles C4'-P-C4' energy: -60.730
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: -61.637
Dist. restrs. and SS energy: -183.600 (S_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: 113
Temperature: 1.300000
Total energy: -1070.895243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.895243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.095243 (E_RNA)
where:
Base-Base interactions energy: -616.613
where: short stacking energy: -237.210
Base-Backbone interact. energy: -3.157
local terms energy: -269.325275
where:
bonds (distance) C4'-P energy: -45.247
bonds (distance) P-C4' energy: -56.454
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: -54.263
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -969.148619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.148619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.348619 (E_RNA)
where:
Base-Base interactions energy: -555.752
where: short stacking energy: -218.217
Base-Backbone interact. energy: 0.373
local terms energy: -249.968956
where:
bonds (distance) C4'-P energy: -51.534
bonds (distance) P-C4' energy: -63.796
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: -163.800 (S_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: 114
Temperature: 0.900000
Total energy: -1429.546308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.546308 (E_RNA)
where:
Base-Base interactions energy: -863.827
where: short stacking energy: -354.332
Base-Backbone interact. energy: -0.254
local terms energy: -358.464585
where:
bonds (distance) C4'-P energy: -75.378
bonds (distance) P-C4' energy: -71.547
flat angles C4'-P-C4' energy: -78.485
flat angles P-C4'-P energy: -43.244
tors. eta vs tors. theta energy: -89.811
Dist. restrs. and SS energy: -207.000 (S_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: -1415.989268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.989268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.189268 (E_RNA)
where:
Base-Base interactions energy: -860.020
where: short stacking energy: -336.752
Base-Backbone interact. energy: -2.551
local terms energy: -353.618378
where:
bonds (distance) C4'-P energy: -77.161
bonds (distance) P-C4' energy: -70.531
flat angles C4'-P-C4' energy: -74.757
flat angles P-C4'-P energy: -46.360
tors. eta vs tors. theta energy: -84.809
Dist. restrs. and SS energy: -199.800 (S_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: 114
Temperature: 1.000000
Total energy: -1405.956011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.956011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.356011 (E_RNA)
where:
Base-Base interactions energy: -844.975
where: short stacking energy: -339.312
Base-Backbone interact. energy: -4.001
local terms energy: -355.380317
where:
bonds (distance) C4'-P energy: -74.714
bonds (distance) P-C4' energy: -71.783
flat angles C4'-P-C4' energy: -70.415
flat angles P-C4'-P energy: -45.565
tors. eta vs tors. theta energy: -92.903
Dist. restrs. and SS energy: -201.600 (S_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: 114
Temperature: 1.050000
Total energy: -1317.472017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.472017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.872017 (E_RNA)
where:
Base-Base interactions energy: -764.486
where: short stacking energy: -325.908
Base-Backbone interact. energy: -2.011
local terms energy: -340.374751
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -68.446
flat angles C4'-P-C4' energy: -75.423
flat angles P-C4'-P energy: -54.223
tors. eta vs tors. theta energy: -81.008
Dist. restrs. and SS energy: -210.600 (S_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: 114
Temperature: 1.100000
Total energy: -1274.285472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.285472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.285472 (E_RNA)
where:
Base-Base interactions energy: -741.033
where: short stacking energy: -309.694
Base-Backbone interact. energy: 0.744
local terms energy: -326.997122
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -71.651
flat angles C4'-P-C4' energy: -77.222
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -85.185
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1235.850378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.850378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.050378 (E_RNA)
where:
Base-Base interactions energy: -744.334
where: short stacking energy: -300.576
Base-Backbone interact. energy: 1.088
local terms energy: -301.804311
where:
bonds (distance) C4'-P energy: -58.028
bonds (distance) P-C4' energy: -54.290
flat angles C4'-P-C4' energy: -74.142
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: -72.165
Dist. restrs. and SS energy: -190.800 (S_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: 114
Temperature: 1.200000
Total energy: -1201.916606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.916606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.516606 (E_RNA)
where:
Base-Base interactions energy: -696.223
where: short stacking energy: -269.814
Base-Backbone interact. energy: 0.714
local terms energy: -303.007968
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -73.841
flat angles C4'-P-C4' energy: -61.759
flat angles P-C4'-P energy: -45.785
tors. eta vs tors. theta energy: -73.981
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1122.601807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.601807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.401807 (E_RNA)
where:
Base-Base interactions energy: -635.743
where: short stacking energy: -235.612
Base-Backbone interact. energy: 1.784
local terms energy: -292.442484
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -64.763
flat angles C4'-P-C4' energy: -79.629
flat angles P-C4'-P energy: -41.959
tors. eta vs tors. theta energy: -55.354
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1050.945763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.945763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.745763 (E_RNA)
where:
Base-Base interactions energy: -587.869
where: short stacking energy: -241.660
Base-Backbone interact. energy: -1.389
local terms energy: -274.488690
where:
bonds (distance) C4'-P energy: -59.659
bonds (distance) P-C4' energy: -68.138
flat angles C4'-P-C4' energy: -62.781
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -47.063
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -960.972603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.972603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.972603 (E_RNA)
where:
Base-Base interactions energy: -508.270
where: short stacking energy: -205.243
Base-Backbone interact. energy: 0.695
local terms energy: -291.398303
where:
bonds (distance) C4'-P energy: -73.842
bonds (distance) P-C4' energy: -69.039
flat angles C4'-P-C4' energy: -62.511
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -45.638
Dist. restrs. and SS energy: -162.000 (S_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: 115
Temperature: 0.900000
Total energy: -1436.466118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.466118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.266118 (E_RNA)
where:
Base-Base interactions energy: -856.836
where: short stacking energy: -356.413
Base-Backbone interact. energy: 1.580
local terms energy: -376.010149
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -74.276
flat angles C4'-P-C4' energy: -86.651
flat angles P-C4'-P energy: -54.593
tors. eta vs tors. theta energy: -94.242
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1441.952975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.952975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.152975 (E_RNA)
where:
Base-Base interactions energy: -886.027
where: short stacking energy: -350.071
Base-Backbone interact. energy: -1.869
local terms energy: -363.257249
where:
bonds (distance) C4'-P energy: -70.771
bonds (distance) P-C4' energy: -74.960
flat angles C4'-P-C4' energy: -71.331
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -95.885
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1374.028614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.028614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.228614 (E_RNA)
where:
Base-Base interactions energy: -807.283
where: short stacking energy: -333.079
Base-Backbone interact. energy: -1.869
local terms energy: -365.076879
where:
bonds (distance) C4'-P energy: -70.379
bonds (distance) P-C4' energy: -67.719
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -54.444
tors. eta vs tors. theta energy: -94.094
Dist. restrs. and SS energy: -199.800 (S_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: 115
Temperature: 1.050000
Total energy: -1303.804132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.804132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.404132 (E_RNA)
where:
Base-Base interactions energy: -750.065
where: short stacking energy: -311.894
Base-Backbone interact. energy: 0.237
local terms energy: -341.575777
where:
bonds (distance) C4'-P energy: -78.732
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -80.531
flat angles P-C4'-P energy: -48.906
tors. eta vs tors. theta energy: -68.946
Dist. restrs. and SS energy: -212.400 (S_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: 115
Temperature: 1.100000
Total energy: -1298.977411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.977411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.977411 (E_RNA)
where:
Base-Base interactions energy: -744.948
where: short stacking energy: -315.570
Base-Backbone interact. energy: -4.324
local terms energy: -342.705372
where:
bonds (distance) C4'-P energy: -64.821
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -82.974
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -87.993
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1229.178229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.178229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.978229 (E_RNA)
where:
Base-Base interactions energy: -703.993
where: short stacking energy: -290.575
Base-Backbone interact. energy: -1.454
local terms energy: -318.530822
where:
bonds (distance) C4'-P energy: -73.117
bonds (distance) P-C4' energy: -64.372
flat angles C4'-P-C4' energy: -69.278
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -61.326
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1194.993971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.993971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.393971 (E_RNA)
where:
Base-Base interactions energy: -704.704
where: short stacking energy: -273.480
Base-Backbone interact. energy: 2.441
local terms energy: -300.131186
where:
bonds (distance) C4'-P energy: -57.733
bonds (distance) P-C4' energy: -67.429
flat angles C4'-P-C4' energy: -73.275
flat angles P-C4'-P energy: -41.952
tors. eta vs tors. theta energy: -59.743
Dist. restrs. and SS energy: -192.600 (S_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: 115
Temperature: 1.250000
Total energy: -1135.471297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.471297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.871297 (E_RNA)
where:
Base-Base interactions energy: -646.321
where: short stacking energy: -261.704
Base-Backbone interact. energy: -2.870
local terms energy: -293.680248
where:
bonds (distance) C4'-P energy: -60.861
bonds (distance) P-C4' energy: -66.427
flat angles C4'-P-C4' energy: -59.724
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -67.694
Dist. restrs. and SS energy: -192.600 (S_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: 115
Temperature: 1.300000
Total energy: -1063.639028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.639028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.239028 (E_RNA)
where:
Base-Base interactions energy: -594.331
where: short stacking energy: -244.228
Base-Backbone interact. energy: -0.054
local terms energy: -283.853545
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -71.418
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -66.460
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -974.112009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.112009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.912009 (E_RNA)
where:
Base-Base interactions energy: -566.537
where: short stacking energy: -210.182
Base-Backbone interact. energy: -2.243
local terms energy: -245.132172
where:
bonds (distance) C4'-P energy: -61.439
bonds (distance) P-C4' energy: -58.947
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1454.924571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.924571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.124571 (E_RNA)
where:
Base-Base interactions energy: -869.839
where: short stacking energy: -336.825
Base-Backbone interact. energy: -2.306
local terms energy: -382.979415
where:
bonds (distance) C4'-P energy: -74.098
bonds (distance) P-C4' energy: -71.137
flat angles C4'-P-C4' energy: -84.166
flat angles P-C4'-P energy: -58.843
tors. eta vs tors. theta energy: -94.736
Dist. restrs. and SS energy: -199.800 (S_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: 116
Temperature: 0.950000
Total energy: -1402.625868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.625868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.825868 (E_RNA)
where:
Base-Base interactions energy: -829.828
where: short stacking energy: -327.984
Base-Backbone interact. energy: -0.271
local terms energy: -363.726876
where:
bonds (distance) C4'-P energy: -74.457
bonds (distance) P-C4' energy: -78.026
flat angles C4'-P-C4' energy: -82.159
flat angles P-C4'-P energy: -48.704
tors. eta vs tors. theta energy: -80.380
Dist. restrs. and SS energy: -208.800 (S_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: 116
Temperature: 1.000000
Total energy: -1359.904690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.904690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.304690 (E_RNA)
where:
Base-Base interactions energy: -804.257
where: short stacking energy: -318.960
Base-Backbone interact. energy: -1.209
local terms energy: -352.838886
where:
bonds (distance) C4'-P energy: -67.570
bonds (distance) P-C4' energy: -72.633
flat angles C4'-P-C4' energy: -81.997
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -82.098
Dist. restrs. and SS energy: -201.600 (S_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: 116
Temperature: 1.050000
Total energy: -1317.105662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.105662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.105662 (E_RNA)
where:
Base-Base interactions energy: -744.520
where: short stacking energy: -315.697
Base-Backbone interact. energy: -1.195
local terms energy: -355.391188
where:
bonds (distance) C4'-P energy: -67.073
bonds (distance) P-C4' energy: -71.822
flat angles C4'-P-C4' energy: -79.058
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: -88.611
Dist. restrs. and SS energy: -216.000 (S_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: 116
Temperature: 1.100000
Total energy: -1283.350812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.350812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.350812 (E_RNA)
where:
Base-Base interactions energy: -745.329
where: short stacking energy: -317.080
Base-Backbone interact. energy: -1.529
local terms energy: -329.492859
where:
bonds (distance) C4'-P energy: -70.933
bonds (distance) P-C4' energy: -57.531
flat angles C4'-P-C4' energy: -71.047
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -83.186
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1232.325017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.325017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.125017 (E_RNA)
where:
Base-Base interactions energy: -712.010
where: short stacking energy: -278.272
Base-Backbone interact. energy: -0.126
local terms energy: -314.989439
where:
bonds (distance) C4'-P energy: -67.305
bonds (distance) P-C4' energy: -68.808
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -70.354
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1187.981181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.981181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.981181 (E_RNA)
where:
Base-Base interactions energy: -716.818
where: short stacking energy: -270.797
Base-Backbone interact. energy: 3.580
local terms energy: -276.743137
where:
bonds (distance) C4'-P energy: -54.807
bonds (distance) P-C4' energy: -59.217
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -59.500
Dist. restrs. and SS energy: -198.000 (S_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: 116
Temperature: 1.250000
Total energy: -1152.091630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.091630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.691630 (E_RNA)
where:
Base-Base interactions energy: -691.195
where: short stacking energy: -278.344
Base-Backbone interact. energy: 2.413
local terms energy: -277.909795
where:
bonds (distance) C4'-P energy: -65.412
bonds (distance) P-C4' energy: -51.710
flat angles C4'-P-C4' energy: -61.884
flat angles P-C4'-P energy: -40.568
tors. eta vs tors. theta energy: -58.336
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1053.547013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.547013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.747013 (E_RNA)
where:
Base-Base interactions energy: -613.950
where: short stacking energy: -256.247
Base-Backbone interact. energy: -1.213
local terms energy: -256.584225
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -50.077
flat angles C4'-P-C4' energy: -59.519
flat angles P-C4'-P energy: -32.207
tors. eta vs tors. theta energy: -63.799
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -899.875139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.875139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.675139 (E_RNA)
where:
Base-Base interactions energy: -481.122
where: short stacking energy: -201.473
Base-Backbone interact. energy: -1.178
local terms energy: -257.375497
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -63.141
flat angles P-C4'-P energy: -40.174
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1458.748181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.748181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.548181 (E_RNA)
where:
Base-Base interactions energy: -878.901
where: short stacking energy: -333.868
Base-Backbone interact. energy: -5.117
local terms energy: -378.530581
where:
bonds (distance) C4'-P energy: -75.439
bonds (distance) P-C4' energy: -78.127
flat angles C4'-P-C4' energy: -82.782
flat angles P-C4'-P energy: -53.747
tors. eta vs tors. theta energy: -88.437
Dist. restrs. and SS energy: -196.200 (S_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: 117
Temperature: 0.950000
Total energy: -1412.108532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.108532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.508532 (E_RNA)
where:
Base-Base interactions energy: -840.391
where: short stacking energy: -350.929
Base-Backbone interact. energy: -1.039
local terms energy: -369.079081
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -78.345
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -102.792
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1377.751416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.751416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.151416 (E_RNA)
where:
Base-Base interactions energy: -824.478
where: short stacking energy: -339.980
Base-Backbone interact. energy: -2.090
local terms energy: -349.583109
where:
bonds (distance) C4'-P energy: -59.865
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -75.981
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -91.867
Dist. restrs. and SS energy: -201.600 (S_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: 117
Temperature: 1.050000
Total energy: -1320.576558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.576558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.376558 (E_RNA)
where:
Base-Base interactions energy: -760.791
where: short stacking energy: -330.849
Base-Backbone interact. energy: -1.964
local terms energy: -343.621289
where:
bonds (distance) C4'-P energy: -60.312
bonds (distance) P-C4' energy: -67.325
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -49.365
tors. eta vs tors. theta energy: -93.647
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1260.982951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.982951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.182951 (E_RNA)
where:
Base-Base interactions energy: -727.068
where: short stacking energy: -293.478
Base-Backbone interact. energy: 0.901
local terms energy: -326.016325
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -59.857
flat angles C4'-P-C4' energy: -72.879
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -78.480
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1230.283972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.283972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.083972 (E_RNA)
where:
Base-Base interactions energy: -711.410
where: short stacking energy: -284.008
Base-Backbone interact. energy: 1.281
local terms energy: -323.954737
where:
bonds (distance) C4'-P energy: -67.361
bonds (distance) P-C4' energy: -77.373
flat angles C4'-P-C4' energy: -63.268
flat angles P-C4'-P energy: -46.411
tors. eta vs tors. theta energy: -69.541
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1219.094108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.094108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.094108 (E_RNA)
where:
Base-Base interactions energy: -703.982
where: short stacking energy: -283.683
Base-Backbone interact. energy: -0.198
local terms energy: -316.914653
where:
bonds (distance) C4'-P energy: -57.772
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -76.580
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -76.221
Dist. restrs. and SS energy: -198.000 (S_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: 117
Temperature: 1.250000
Total energy: -1159.820959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.820959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.220959 (E_RNA)
where:
Base-Base interactions energy: -682.057
where: short stacking energy: -270.014
Base-Backbone interact. energy: 0.927
local terms energy: -295.091394
where:
bonds (distance) C4'-P energy: -66.751
bonds (distance) P-C4' energy: -65.703
flat angles C4'-P-C4' energy: -68.538
flat angles P-C4'-P energy: -38.525
tors. eta vs tors. theta energy: -55.574
Dist. restrs. and SS energy: -183.600 (S_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: 117
Temperature: 1.300000
Total energy: -1052.344776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.344776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.944776 (E_RNA)
where:
Base-Base interactions energy: -603.048
where: short stacking energy: -244.116
Base-Backbone interact. energy: -1.001
local terms energy: -262.895691
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -43.860
flat angles C4'-P-C4' energy: -55.784
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -54.908
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -915.834496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.834496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.834496 (E_RNA)
where:
Base-Base interactions energy: -550.892
where: short stacking energy: -232.018
Base-Backbone interact. energy: -0.337
local terms energy: -202.605321
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -37.473
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1457.948170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.948170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.148170 (E_RNA)
where:
Base-Base interactions energy: -901.879
where: short stacking energy: -350.959
Base-Backbone interact. energy: -1.449
local terms energy: -354.820181
where:
bonds (distance) C4'-P energy: -57.446
bonds (distance) P-C4' energy: -71.661
flat angles C4'-P-C4' energy: -90.220
flat angles P-C4'-P energy: -49.250
tors. eta vs tors. theta energy: -86.244
Dist. restrs. and SS energy: -199.800 (S_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: 118
Temperature: 0.950000
Total energy: -1421.216982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.216982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.416982 (E_RNA)
where:
Base-Base interactions energy: -848.049
where: short stacking energy: -353.989
Base-Backbone interact. energy: -2.876
local terms energy: -370.491300
where:
bonds (distance) C4'-P energy: -72.657
bonds (distance) P-C4' energy: -75.700
flat angles C4'-P-C4' energy: -81.406
flat angles P-C4'-P energy: -55.165
tors. eta vs tors. theta energy: -85.563
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1350.021175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.021175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.221175 (E_RNA)
where:
Base-Base interactions energy: -786.261
where: short stacking energy: -331.088
Base-Backbone interact. energy: -0.831
local terms energy: -354.129784
where:
bonds (distance) C4'-P energy: -70.885
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -67.271
flat angles P-C4'-P energy: -55.635
tors. eta vs tors. theta energy: -91.677
Dist. restrs. and SS energy: -208.800 (S_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: 118
Temperature: 1.050000
Total energy: -1327.678010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.678010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.078010 (E_RNA)
where:
Base-Base interactions energy: -757.404
where: short stacking energy: -320.322
Base-Backbone interact. energy: -0.081
local terms energy: -359.592694
where:
bonds (distance) C4'-P energy: -72.064
bonds (distance) P-C4' energy: -67.982
flat angles C4'-P-C4' energy: -86.700
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -86.295
Dist. restrs. and SS energy: -210.600 (S_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: 118
Temperature: 1.100000
Total energy: -1297.370275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.370275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.370275 (E_RNA)
where:
Base-Base interactions energy: -737.818
where: short stacking energy: -300.707
Base-Backbone interact. energy: -1.999
local terms energy: -350.552993
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -75.175
flat angles C4'-P-C4' energy: -81.728
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -81.943
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1265.563675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.563675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.563675 (E_RNA)
where:
Base-Base interactions energy: -756.030
where: short stacking energy: -302.979
Base-Backbone interact. energy: -0.879
local terms energy: -310.655322
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -66.773
flat angles C4'-P-C4' energy: -64.719
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -80.664
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1218.208963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.208963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.608963 (E_RNA)
where:
Base-Base interactions energy: -695.610
where: short stacking energy: -274.501
Base-Backbone interact. energy: 5.187
local terms energy: -326.186016
where:
bonds (distance) C4'-P energy: -64.982
bonds (distance) P-C4' energy: -66.881
flat angles C4'-P-C4' energy: -74.275
flat angles P-C4'-P energy: -50.209
tors. eta vs tors. theta energy: -69.839
Dist. restrs. and SS energy: -201.600 (S_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: 118
Temperature: 1.250000
Total energy: -1138.100323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.100323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.700323 (E_RNA)
where:
Base-Base interactions energy: -669.129
where: short stacking energy: -273.721
Base-Backbone interact. energy: -1.373
local terms energy: -282.198872
where:
bonds (distance) C4'-P energy: -55.857
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1044.361002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.361002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.361002 (E_RNA)
where:
Base-Base interactions energy: -604.368
where: short stacking energy: -242.245
Base-Backbone interact. energy: 1.574
local terms energy: -261.566569
where:
bonds (distance) C4'-P energy: -59.725
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -959.321731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.321731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.321731 (E_RNA)
where:
Base-Base interactions energy: -529.457
where: short stacking energy: -210.824
Base-Backbone interact. energy: -0.411
local terms energy: -267.453876
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -73.032
flat angles P-C4'-P energy: -43.705
tors. eta vs tors. theta energy: -30.566
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1468.462245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.462245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.862245 (E_RNA)
where:
Base-Base interactions energy: -884.795
where: short stacking energy: -337.369
Base-Backbone interact. energy: -1.437
local terms energy: -380.630415
where:
bonds (distance) C4'-P energy: -77.484
bonds (distance) P-C4' energy: -72.424
flat angles C4'-P-C4' energy: -87.004
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -85.765
Dist. restrs. and SS energy: -201.600 (S_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: 119
Temperature: 0.950000
Total energy: -1432.438231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.438231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.638231 (E_RNA)
where:
Base-Base interactions energy: -853.022
where: short stacking energy: -346.179
Base-Backbone interact. energy: -3.825
local terms energy: -375.791310
where:
bonds (distance) C4'-P energy: -65.894
bonds (distance) P-C4' energy: -82.553
flat angles C4'-P-C4' energy: -80.090
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -92.972
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1378.409251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.409251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.209251 (E_RNA)
where:
Base-Base interactions energy: -790.831
where: short stacking energy: -332.954
Base-Backbone interact. energy: -1.214
local terms energy: -381.165161
where:
bonds (distance) C4'-P energy: -75.902
bonds (distance) P-C4' energy: -72.695
flat angles C4'-P-C4' energy: -85.039
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -101.849
Dist. restrs. and SS energy: -205.200 (S_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: 119
Temperature: 1.050000
Total energy: -1323.921573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.921573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.121573 (E_RNA)
where:
Base-Base interactions energy: -779.791
where: short stacking energy: -318.430
Base-Backbone interact. energy: -1.614
local terms energy: -333.717154
where:
bonds (distance) C4'-P energy: -64.213
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -71.870
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -92.983
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1269.694967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.694967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.494967 (E_RNA)
where:
Base-Base interactions energy: -725.829
where: short stacking energy: -288.145
Base-Backbone interact. energy: 0.623
local terms energy: -330.288386
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -83.179
flat angles P-C4'-P energy: -46.026
tors. eta vs tors. theta energy: -75.732
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1247.181838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.181838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.581838 (E_RNA)
where:
Base-Base interactions energy: -728.069
where: short stacking energy: -302.275
Base-Backbone interact. energy: -1.447
local terms energy: -316.065676
where:
bonds (distance) C4'-P energy: -63.928
bonds (distance) P-C4' energy: -68.685
flat angles C4'-P-C4' energy: -68.202
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -79.899
Dist. restrs. and SS energy: -201.600 (S_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: 119
Temperature: 1.200000
Total energy: -1151.538336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.538336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.338336 (E_RNA)
where:
Base-Base interactions energy: -635.289
where: short stacking energy: -255.957
Base-Backbone interact. energy: -1.195
local terms energy: -318.854716
where:
bonds (distance) C4'-P energy: -61.436
bonds (distance) P-C4' energy: -81.482
flat angles C4'-P-C4' energy: -75.513
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -46.719
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1137.828247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.828247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.028247 (E_RNA)
where:
Base-Base interactions energy: -657.410
where: short stacking energy: -259.947
Base-Backbone interact. energy: 0.812
local terms energy: -281.430470
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -58.151
flat angles C4'-P-C4' energy: -67.347
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -61.509
Dist. restrs. and SS energy: -199.800 (S_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: 119
Temperature: 1.300000
Total energy: -1027.236272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.236272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.836272 (E_RNA)
where:
Base-Base interactions energy: -604.531
where: short stacking energy: -242.219
Base-Backbone interact. energy: -1.192
local terms energy: -236.112824
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -58.598
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -45.585
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -931.291503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.291503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.291503 (E_RNA)
where:
Base-Base interactions energy: -522.339
where: short stacking energy: -210.683
Base-Backbone interact. energy: 0.010
local terms energy: -246.961921
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -60.014
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -41.923
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1457.433023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.433023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.433023 (E_RNA)
where:
Base-Base interactions energy: -883.075
where: short stacking energy: -357.942
Base-Backbone interact. energy: -2.482
local terms energy: -373.875528
where:
bonds (distance) C4'-P energy: -70.951
bonds (distance) P-C4' energy: -69.017
flat angles C4'-P-C4' energy: -80.782
flat angles P-C4'-P energy: -57.236
tors. eta vs tors. theta energy: -95.889
Dist. restrs. and SS energy: -198.000 (S_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: 120
Temperature: 0.950000
Total energy: -1399.919654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.919654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.319654 (E_RNA)
where:
Base-Base interactions energy: -826.495
where: short stacking energy: -364.112
Base-Backbone interact. energy: -1.752
local terms energy: -370.072190
where:
bonds (distance) C4'-P energy: -75.295
bonds (distance) P-C4' energy: -72.481
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -54.596
tors. eta vs tors. theta energy: -92.973
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1369.464621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.464621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.264621 (E_RNA)
where:
Base-Base interactions energy: -809.657
where: short stacking energy: -340.609
Base-Backbone interact. energy: 1.015
local terms energy: -355.622163
where:
bonds (distance) C4'-P energy: -67.816
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -85.768
flat angles P-C4'-P energy: -40.718
tors. eta vs tors. theta energy: -91.285
Dist. restrs. and SS energy: -205.200 (S_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: 120
Temperature: 1.050000
Total energy: -1321.857600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.857600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.457600 (E_RNA)
where:
Base-Base interactions energy: -783.005
where: short stacking energy: -338.657
Base-Backbone interact. energy: -1.766
local terms energy: -333.687306
where:
bonds (distance) C4'-P energy: -68.712
bonds (distance) P-C4' energy: -71.701
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -39.024
tors. eta vs tors. theta energy: -86.549
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1273.892153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.892153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.492153 (E_RNA)
where:
Base-Base interactions energy: -726.780
where: short stacking energy: -307.834
Base-Backbone interact. energy: 0.875
local terms energy: -335.587764
where:
bonds (distance) C4'-P energy: -60.436
bonds (distance) P-C4' energy: -61.477
flat angles C4'-P-C4' energy: -70.938
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -95.745
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1239.598674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.598674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.998674 (E_RNA)
where:
Base-Base interactions energy: -735.106
where: short stacking energy: -302.605
Base-Backbone interact. energy: 0.530
local terms energy: -303.422676
where:
bonds (distance) C4'-P energy: -61.429
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -66.860
flat angles P-C4'-P energy: -36.455
tors. eta vs tors. theta energy: -79.013
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1197.853796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.853796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.653796 (E_RNA)
where:
Base-Base interactions energy: -695.130
where: short stacking energy: -291.009
Base-Backbone interact. energy: -0.461
local terms energy: -306.062818
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -72.199
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -72.664
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1149.698511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.698511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.498511 (E_RNA)
where:
Base-Base interactions energy: -678.248
where: short stacking energy: -249.388
Base-Backbone interact. energy: -0.705
local terms energy: -274.545082
where:
bonds (distance) C4'-P energy: -61.415
bonds (distance) P-C4' energy: -57.954
flat angles C4'-P-C4' energy: -66.376
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1028.840854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.840854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.840854 (E_RNA)
where:
Base-Base interactions energy: -570.143
where: short stacking energy: -235.251
Base-Backbone interact. energy: 5.085
local terms energy: -283.782764
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -71.153
flat angles P-C4'-P energy: -38.641
tors. eta vs tors. theta energy: -50.906
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -911.428734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.428734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.228734 (E_RNA)
where:
Base-Base interactions energy: -497.847
where: short stacking energy: -197.382
Base-Backbone interact. energy: -1.292
local terms energy: -252.089337
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -56.492
flat angles C4'-P-C4' energy: -57.653
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -37.334
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1461.407967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.407967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.607967 (E_RNA)
where:
Base-Base interactions energy: -897.058
where: short stacking energy: -346.776
Base-Backbone interact. energy: -1.688
local terms energy: -362.861836
where:
bonds (distance) C4'-P energy: -67.359
bonds (distance) P-C4' energy: -77.677
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -89.943
Dist. restrs. and SS energy: -199.800 (S_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: 121
Temperature: 0.950000
Total energy: -1402.736589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.736589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.336589 (E_RNA)
where:
Base-Base interactions energy: -823.211
where: short stacking energy: -348.363
Base-Backbone interact. energy: -3.376
local terms energy: -372.749076
where:
bonds (distance) C4'-P energy: -67.658
bonds (distance) P-C4' energy: -78.986
flat angles C4'-P-C4' energy: -83.452
flat angles P-C4'-P energy: -54.526
tors. eta vs tors. theta energy: -88.128
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1366.733383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.733383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.933383 (E_RNA)
where:
Base-Base interactions energy: -803.404
where: short stacking energy: -355.893
Base-Backbone interact. energy: -0.905
local terms energy: -353.625155
where:
bonds (distance) C4'-P energy: -65.505
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -86.170
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -90.680
Dist. restrs. and SS energy: -208.800 (S_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: 121
Temperature: 1.050000
Total energy: -1283.892377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.892377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.492377 (E_RNA)
where:
Base-Base interactions energy: -746.587
where: short stacking energy: -313.537
Base-Backbone interact. energy: -0.108
local terms energy: -333.797757
where:
bonds (distance) C4'-P energy: -77.247
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -71.603
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -75.996
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1284.550630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.550630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.950630 (E_RNA)
where:
Base-Base interactions energy: -738.381
where: short stacking energy: -319.735
Base-Backbone interact. energy: 0.903
local terms energy: -336.472201
where:
bonds (distance) C4'-P energy: -66.487
bonds (distance) P-C4' energy: -64.017
flat angles C4'-P-C4' energy: -71.274
flat angles P-C4'-P energy: -53.386
tors. eta vs tors. theta energy: -81.309
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1250.652490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.652490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.452490 (E_RNA)
where:
Base-Base interactions energy: -712.936
where: short stacking energy: -299.591
Base-Backbone interact. energy: 0.267
local terms energy: -332.783040
where:
bonds (distance) C4'-P energy: -72.694
bonds (distance) P-C4' energy: -64.899
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -56.888
tors. eta vs tors. theta energy: -76.395
Dist. restrs. and SS energy: -205.200 (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: 121
Temperature: 1.200000
Total energy: -1194.240813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.240813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.240813 (E_RNA)
where:
Base-Base interactions energy: -688.179
where: short stacking energy: -278.532
Base-Backbone interact. energy: 1.300
local terms energy: -309.362086
where:
bonds (distance) C4'-P energy: -65.878
bonds (distance) P-C4' energy: -75.020
flat angles C4'-P-C4' energy: -66.674
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -57.863
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1147.444013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.444013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.844013 (E_RNA)
where:
Base-Base interactions energy: -661.616
where: short stacking energy: -259.871
Base-Backbone interact. energy: -0.327
local terms energy: -283.901008
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -63.073
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -65.526
Dist. restrs. and SS energy: -201.600 (S_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: 121
Temperature: 1.300000
Total energy: -1029.579912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.579912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.179912 (E_RNA)
where:
Base-Base interactions energy: -586.743
where: short stacking energy: -248.309
Base-Backbone interact. energy: -1.208
local terms energy: -256.228991
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -60.149
flat angles C4'-P-C4' energy: -54.985
flat angles P-C4'-P energy: -41.570
tors. eta vs tors. theta energy: -48.738
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -924.566558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.566558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.566558 (E_RNA)
where:
Base-Base interactions energy: -532.034
where: short stacking energy: -202.915
Base-Backbone interact. energy: -0.646
local terms energy: -229.886777
where:
bonds (distance) C4'-P energy: -50.656
bonds (distance) P-C4' energy: -49.993
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -37.031
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1465.696646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.696646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.896646 (E_RNA)
where:
Base-Base interactions energy: -891.751
where: short stacking energy: -347.403
Base-Backbone interact. energy: 2.783
local terms energy: -376.928733
where:
bonds (distance) C4'-P energy: -80.333
bonds (distance) P-C4' energy: -74.914
flat angles C4'-P-C4' energy: -78.378
flat angles P-C4'-P energy: -62.164
tors. eta vs tors. theta energy: -81.139
Dist. restrs. and SS energy: -199.800 (S_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: 122
Temperature: 0.950000
Total energy: -1411.053121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.053121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.453121 (E_RNA)
where:
Base-Base interactions energy: -820.669
where: short stacking energy: -335.772
Base-Backbone interact. energy: -2.601
local terms energy: -386.182966
where:
bonds (distance) C4'-P energy: -73.409
bonds (distance) P-C4' energy: -76.081
flat angles C4'-P-C4' energy: -78.544
flat angles P-C4'-P energy: -55.689
tors. eta vs tors. theta energy: -102.461
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1339.947178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.947178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.147178 (E_RNA)
where:
Base-Base interactions energy: -784.570
where: short stacking energy: -320.232
Base-Backbone interact. energy: -1.254
local terms energy: -345.322538
where:
bonds (distance) C4'-P energy: -60.777
bonds (distance) P-C4' energy: -66.091
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -56.220
tors. eta vs tors. theta energy: -75.838
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1350.103248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.103248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.303248 (E_RNA)
where:
Base-Base interactions energy: -797.849
where: short stacking energy: -326.114
Base-Backbone interact. energy: 0.397
local terms energy: -343.850532
where:
bonds (distance) C4'-P energy: -65.400
bonds (distance) P-C4' energy: -71.380
flat angles C4'-P-C4' energy: -77.612
flat angles P-C4'-P energy: -41.630
tors. eta vs tors. theta energy: -87.828
Dist. restrs. and SS energy: -208.800 (S_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: -1265.578252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.578252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.378252 (E_RNA)
where:
Base-Base interactions energy: -748.800
where: short stacking energy: -300.573
Base-Backbone interact. energy: -1.126
local terms energy: -319.451514
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -64.089
flat angles C4'-P-C4' energy: -74.124
flat angles P-C4'-P energy: -52.547
tors. eta vs tors. theta energy: -75.157
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1245.924712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.924712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.924712 (E_RNA)
where:
Base-Base interactions energy: -701.882
where: short stacking energy: -285.676
Base-Backbone interact. energy: -2.052
local terms energy: -334.990589
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -76.277
Dist. restrs. and SS energy: -207.000 (S_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: 122
Temperature: 1.200000
Total energy: -1161.597294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.597294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.597294 (E_RNA)
where:
Base-Base interactions energy: -669.213
where: short stacking energy: -257.247
Base-Backbone interact. energy: -0.295
local terms energy: -294.088550
where:
bonds (distance) C4'-P energy: -65.189
bonds (distance) P-C4' energy: -69.372
flat angles C4'-P-C4' energy: -57.765
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -65.538
Dist. restrs. and SS energy: -198.000 (S_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: 122
Temperature: 1.250000
Total energy: -1157.481722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.481722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.281722 (E_RNA)
where:
Base-Base interactions energy: -653.468
where: short stacking energy: -260.573
Base-Backbone interact. energy: -0.124
local terms energy: -307.689917
where:
bonds (distance) C4'-P energy: -63.746
bonds (distance) P-C4' energy: -63.999
flat angles C4'-P-C4' energy: -72.935
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -68.965
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1034.525914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.525914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.125914 (E_RNA)
where:
Base-Base interactions energy: -587.035
where: short stacking energy: -249.339
Base-Backbone interact. energy: -2.979
local terms energy: -259.112499
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -58.447
flat angles C4'-P-C4' energy: -54.424
flat angles P-C4'-P energy: -44.274
tors. eta vs tors. theta energy: -60.552
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -954.605655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.605655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.405655 (E_RNA)
where:
Base-Base interactions energy: -546.779
where: short stacking energy: -237.656
Base-Backbone interact. energy: -1.018
local terms energy: -246.608836
where:
bonds (distance) C4'-P energy: -58.581
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -53.375
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -44.131
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1460.810573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.810573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.010573 (E_RNA)
where:
Base-Base interactions energy: -893.331
where: short stacking energy: -352.152
Base-Backbone interact. energy: -0.427
local terms energy: -367.252964
where:
bonds (distance) C4'-P energy: -65.454
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -88.709
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1369.248070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.248070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.448070 (E_RNA)
where:
Base-Base interactions energy: -789.670
where: short stacking energy: -330.662
Base-Backbone interact. energy: -3.901
local terms energy: -366.876760
where:
bonds (distance) C4'-P energy: -68.513
bonds (distance) P-C4' energy: -73.927
flat angles C4'-P-C4' energy: -83.047
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -89.075
Dist. restrs. and SS energy: -208.800 (S_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: 123
Temperature: 1.000000
Total energy: -1369.115915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.115915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.915915 (E_RNA)
where:
Base-Base interactions energy: -797.832
where: short stacking energy: -323.884
Base-Backbone interact. energy: -3.526
local terms energy: -371.558110
where:
bonds (distance) C4'-P energy: -73.339
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -79.734
flat angles P-C4'-P energy: -54.949
tors. eta vs tors. theta energy: -91.151
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1345.774075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.774075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.774075 (E_RNA)
where:
Base-Base interactions energy: -767.474
where: short stacking energy: -314.561
Base-Backbone interact. energy: -2.282
local terms energy: -369.017246
where:
bonds (distance) C4'-P energy: -78.838
bonds (distance) P-C4' energy: -67.902
flat angles C4'-P-C4' energy: -76.752
flat angles P-C4'-P energy: -51.878
tors. eta vs tors. theta energy: -93.647
Dist. restrs. and SS energy: -207.000 (S_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: 123
Temperature: 1.100000
Total energy: -1269.666225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.666225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.466225 (E_RNA)
where:
Base-Base interactions energy: -755.517
where: short stacking energy: -309.070
Base-Backbone interact. energy: 1.688
local terms energy: -310.637040
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -45.507
tors. eta vs tors. theta energy: -76.312
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1247.466354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.466354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.266354 (E_RNA)
where:
Base-Base interactions energy: -720.285
where: short stacking energy: -296.312
Base-Backbone interact. energy: 3.483
local terms energy: -316.464240
where:
bonds (distance) C4'-P energy: -60.669
bonds (distance) P-C4' energy: -63.605
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -48.578
tors. eta vs tors. theta energy: -77.113
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1184.915349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.915349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.715349 (E_RNA)
where:
Base-Base interactions energy: -672.057
where: short stacking energy: -290.797
Base-Backbone interact. energy: -0.528
local terms energy: -316.129567
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -73.036
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -69.909
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1148.275867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.275867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.075867 (E_RNA)
where:
Base-Base interactions energy: -654.557
where: short stacking energy: -267.877
Base-Backbone interact. energy: -1.766
local terms energy: -295.752928
where:
bonds (distance) C4'-P energy: -56.179
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -70.559
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -64.947
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1022.322590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.922590 (E_RNA)
where:
Base-Base interactions energy: -569.453
where: short stacking energy: -227.157
Base-Backbone interact. energy: -1.496
local terms energy: -265.973312
where:
bonds (distance) C4'-P energy: -63.786
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -61.066
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -53.489
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -944.075075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.075075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.875075 (E_RNA)
where:
Base-Base interactions energy: -549.926
where: short stacking energy: -225.008
Base-Backbone interact. energy: 2.472
local terms energy: -236.420938
where:
bonds (distance) C4'-P energy: -62.503
bonds (distance) P-C4' energy: -41.601
flat angles C4'-P-C4' energy: -57.969
flat angles P-C4'-P energy: -35.783
tors. eta vs tors. theta energy: -38.565
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1454.124364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.124364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.124364 (E_RNA)
where:
Base-Base interactions energy: -881.295
where: short stacking energy: -336.995
Base-Backbone interact. energy: -1.551
local terms energy: -373.278481
where:
bonds (distance) C4'-P energy: -73.729
bonds (distance) P-C4' energy: -74.409
flat angles C4'-P-C4' energy: -81.506
flat angles P-C4'-P energy: -55.102
tors. eta vs tors. theta energy: -88.534
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1359.832202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.832202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.832202 (E_RNA)
where:
Base-Base interactions energy: -812.943
where: short stacking energy: -330.830
Base-Backbone interact. energy: -1.003
local terms energy: -347.886742
where:
bonds (distance) C4'-P energy: -74.726
bonds (distance) P-C4' energy: -78.684
flat angles C4'-P-C4' energy: -71.359
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: -89.153
Dist. restrs. and SS energy: -198.000 (S_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: 124
Temperature: 1.000000
Total energy: -1377.927758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.927758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.727758 (E_RNA)
where:
Base-Base interactions energy: -821.331
where: short stacking energy: -332.249
Base-Backbone interact. energy: -0.591
local terms energy: -359.805871
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -70.757
flat angles C4'-P-C4' energy: -79.550
flat angles P-C4'-P energy: -48.801
tors. eta vs tors. theta energy: -89.553
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1343.707011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.707011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.507011 (E_RNA)
where:
Base-Base interactions energy: -775.370
where: short stacking energy: -311.017
Base-Backbone interact. energy: -2.110
local terms energy: -361.027315
where:
bonds (distance) C4'-P energy: -74.968
bonds (distance) P-C4' energy: -66.023
flat angles C4'-P-C4' energy: -82.973
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -87.220
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1249.317262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.317262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.717262 (E_RNA)
where:
Base-Base interactions energy: -718.874
where: short stacking energy: -294.935
Base-Backbone interact. energy: 0.637
local terms energy: -329.480182
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -70.816
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -78.502
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1248.437165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.437165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.237165 (E_RNA)
where:
Base-Base interactions energy: -713.365
where: short stacking energy: -285.474
Base-Backbone interact. energy: -0.846
local terms energy: -320.026271
where:
bonds (distance) C4'-P energy: -51.760
bonds (distance) P-C4' energy: -66.373
flat angles C4'-P-C4' energy: -78.507
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -77.101
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1171.275027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.275027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.275027 (E_RNA)
where:
Base-Base interactions energy: -663.568
where: short stacking energy: -272.293
Base-Backbone interact. energy: -0.878
local terms energy: -308.828459
where:
bonds (distance) C4'-P energy: -80.918
bonds (distance) P-C4' energy: -71.323
flat angles C4'-P-C4' energy: -51.176
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -66.513
Dist. restrs. and SS energy: -198.000 (S_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: 124
Temperature: 1.250000
Total energy: -1102.705174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.705174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.905174 (E_RNA)
where:
Base-Base interactions energy: -643.805
where: short stacking energy: -257.039
Base-Backbone interact. energy: -2.444
local terms energy: -256.656255
where:
bonds (distance) C4'-P energy: -29.584
bonds (distance) P-C4' energy: -59.625
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -59.411
Dist. restrs. and SS energy: -199.800 (S_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: 124
Temperature: 1.300000
Total energy: -1018.896830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.896830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.896830 (E_RNA)
where:
Base-Base interactions energy: -568.498
where: short stacking energy: -231.308
Base-Backbone interact. energy: -0.243
local terms energy: -270.156034
where:
bonds (distance) C4'-P energy: -59.448
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -60.330
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: -50.598
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -914.181656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.181656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.381656 (E_RNA)
where:
Base-Base interactions energy: -516.918
where: short stacking energy: -211.336
Base-Backbone interact. energy: -0.808
local terms energy: -232.655237
where:
bonds (distance) C4'-P energy: -53.965
bonds (distance) P-C4' energy: -61.179
flat angles C4'-P-C4' energy: -58.161
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1468.285756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.285756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.685756 (E_RNA)
where:
Base-Base interactions energy: -901.035
where: short stacking energy: -344.644
Base-Backbone interact. energy: 1.379
local terms energy: -367.029774
where:
bonds (distance) C4'-P energy: -73.076
bonds (distance) P-C4' energy: -74.964
flat angles C4'-P-C4' energy: -78.366
flat angles P-C4'-P energy: -56.620
tors. eta vs tors. theta energy: -84.003
Dist. restrs. and SS energy: -201.600 (S_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: 125
Temperature: 0.950000
Total energy: -1398.997029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.997029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.997029 (E_RNA)
where:
Base-Base interactions energy: -833.021
where: short stacking energy: -345.319
Base-Backbone interact. energy: -1.064
local terms energy: -366.912089
where:
bonds (distance) C4'-P energy: -68.954
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -86.314
flat angles P-C4'-P energy: -52.443
tors. eta vs tors. theta energy: -90.941
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1335.566689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.566689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.566689 (E_RNA)
where:
Base-Base interactions energy: -771.991
where: short stacking energy: -328.598
Base-Backbone interact. energy: -1.450
local terms energy: -364.125944
where:
bonds (distance) C4'-P energy: -74.499
bonds (distance) P-C4' energy: -76.432
flat angles C4'-P-C4' energy: -82.256
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -84.747
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1360.722899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.722899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.722899 (E_RNA)
where:
Base-Base interactions energy: -783.683
where: short stacking energy: -310.750
Base-Backbone interact. energy: 2.090
local terms energy: -372.130219
where:
bonds (distance) C4'-P energy: -71.051
bonds (distance) P-C4' energy: -75.558
flat angles C4'-P-C4' energy: -73.865
flat angles P-C4'-P energy: -56.084
tors. eta vs tors. theta energy: -95.572
Dist. restrs. and SS energy: -207.000 (S_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: -1267.066292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.066292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.466292 (E_RNA)
where:
Base-Base interactions energy: -743.636
where: short stacking energy: -315.243
Base-Backbone interact. energy: -0.867
local terms energy: -320.962734
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -62.391
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -75.301
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1246.398341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.398341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.198341 (E_RNA)
where:
Base-Base interactions energy: -708.183
where: short stacking energy: -293.898
Base-Backbone interact. energy: 0.542
local terms energy: -333.558194
where:
bonds (distance) C4'-P energy: -68.069
bonds (distance) P-C4' energy: -72.438
flat angles C4'-P-C4' energy: -67.262
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -78.695
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1179.524645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.524645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.324645 (E_RNA)
where:
Base-Base interactions energy: -680.862
where: short stacking energy: -287.487
Base-Backbone interact. energy: 0.294
local terms energy: -302.756468
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -67.105
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -75.638
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1111.040204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.040204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.040204 (E_RNA)
where:
Base-Base interactions energy: -623.853
where: short stacking energy: -248.607
Base-Backbone interact. energy: -1.678
local terms energy: -287.509497
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -64.281
flat angles C4'-P-C4' energy: -65.577
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -58.063
Dist. restrs. and SS energy: -198.000 (S_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: 125
Temperature: 1.300000
Total energy: -1036.920654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.920654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.120654 (E_RNA)
where:
Base-Base interactions energy: -578.042
where: short stacking energy: -230.995
Base-Backbone interact. energy: 3.058
local terms energy: -271.136208
where:
bonds (distance) C4'-P energy: -56.981
bonds (distance) P-C4' energy: -58.868
flat angles C4'-P-C4' energy: -72.600
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -55.459
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -933.056854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.056854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.056854 (E_RNA)
where:
Base-Base interactions energy: -521.424
where: short stacking energy: -227.173
Base-Backbone interact. energy: -1.225
local terms energy: -248.407109
where:
bonds (distance) C4'-P energy: -63.363
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -56.048
flat angles P-C4'-P energy: -34.441
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1475.436291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.436291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.836291 (E_RNA)
where:
Base-Base interactions energy: -911.843
where: short stacking energy: -331.648
Base-Backbone interact. energy: -3.705
local terms energy: -358.289016
where:
bonds (distance) C4'-P energy: -72.035
bonds (distance) P-C4' energy: -70.320
flat angles C4'-P-C4' energy: -71.213
flat angles P-C4'-P energy: -56.200
tors. eta vs tors. theta energy: -88.521
Dist. restrs. and SS energy: -201.600 (S_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: 126
Temperature: 0.950000
Total energy: -1403.815991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.815991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.015991 (E_RNA)
where:
Base-Base interactions energy: -826.313
where: short stacking energy: -340.102
Base-Backbone interact. energy: -2.680
local terms energy: -375.022699
where:
bonds (distance) C4'-P energy: -72.591
bonds (distance) P-C4' energy: -68.232
flat angles C4'-P-C4' energy: -79.676
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -103.584
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1369.962884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.962884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.962884 (E_RNA)
where:
Base-Base interactions energy: -818.741
where: short stacking energy: -306.223
Base-Backbone interact. energy: -0.316
local terms energy: -343.905999
where:
bonds (distance) C4'-P energy: -80.635
bonds (distance) P-C4' energy: -70.551
flat angles C4'-P-C4' energy: -63.731
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -85.922
Dist. restrs. and SS energy: -207.000 (S_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: 126
Temperature: 1.050000
Total energy: -1301.380790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.380790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.380790 (E_RNA)
where:
Base-Base interactions energy: -776.961
where: short stacking energy: -323.970
Base-Backbone interact. energy: -1.521
local terms energy: -315.898100
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -61.459
flat angles C4'-P-C4' energy: -75.954
flat angles P-C4'-P energy: -44.483
tors. eta vs tors. theta energy: -78.823
Dist. restrs. and SS energy: -207.000 (S_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: -1271.084505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.084505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.884505 (E_RNA)
where:
Base-Base interactions energy: -732.641
where: short stacking energy: -288.344
Base-Backbone interact. energy: -1.518
local terms energy: -331.725571
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -67.105
flat angles C4'-P-C4' energy: -72.399
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: -77.226
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1251.918309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.918309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.318309 (E_RNA)
where:
Base-Base interactions energy: -727.881
where: short stacking energy: -303.511
Base-Backbone interact. energy: 0.163
local terms energy: -322.600499
where:
bonds (distance) C4'-P energy: -54.411
bonds (distance) P-C4' energy: -77.446
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -50.662
tors. eta vs tors. theta energy: -74.812
Dist. restrs. and SS energy: -201.600 (S_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: 126
Temperature: 1.200000
Total energy: -1164.957043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.957043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.357043 (E_RNA)
where:
Base-Base interactions energy: -668.059
where: short stacking energy: -257.374
Base-Backbone interact. energy: -0.887
local terms energy: -294.411182
where:
bonds (distance) C4'-P energy: -66.530
bonds (distance) P-C4' energy: -69.077
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -36.604
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: -201.600 (S_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: 126
Temperature: 1.250000
Total energy: -1101.922920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.922920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.122920 (E_RNA)
where:
Base-Base interactions energy: -618.248
where: short stacking energy: -247.912
Base-Backbone interact. energy: -1.663
local terms energy: -291.212088
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -68.618
flat angles C4'-P-C4' energy: -60.163
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: -190.800 (S_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: 126
Temperature: 1.300000
Total energy: -1051.950499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.950499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.150499 (E_RNA)
where:
Base-Base interactions energy: -579.091
where: short stacking energy: -226.931
Base-Backbone interact. energy: -1.666
local terms energy: -289.394052
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -63.206
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -56.151
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -935.742583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.742583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.542583 (E_RNA)
where:
Base-Base interactions energy: -531.508
where: short stacking energy: -212.491
Base-Backbone interact. energy: -1.154
local terms energy: -242.879776
where:
bonds (distance) C4'-P energy: -61.390
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -46.295
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1487.368101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.368101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.368101 (E_RNA)
where:
Base-Base interactions energy: -929.145
where: short stacking energy: -352.838
Base-Backbone interact. energy: -2.959
local terms energy: -357.264632
where:
bonds (distance) C4'-P energy: -70.436
bonds (distance) P-C4' energy: -67.445
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -86.949
Dist. restrs. and SS energy: -198.000 (S_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: 127
Temperature: 0.950000
Total energy: -1416.775832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.775832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.375832 (E_RNA)
where:
Base-Base interactions energy: -832.428
where: short stacking energy: -355.418
Base-Backbone interact. energy: -3.308
local terms energy: -377.639996
where:
bonds (distance) C4'-P energy: -79.883
bonds (distance) P-C4' energy: -77.855
flat angles C4'-P-C4' energy: -80.805
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -91.494
Dist. restrs. and SS energy: -203.400 (S_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: 127
Temperature: 1.000000
Total energy: -1363.887830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.887830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.887830 (E_RNA)
where:
Base-Base interactions energy: -783.742
where: short stacking energy: -321.650
Base-Backbone interact. energy: -1.758
local terms energy: -371.387818
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -76.879
flat angles C4'-P-C4' energy: -80.828
flat angles P-C4'-P energy: -47.841
tors. eta vs tors. theta energy: -84.464
Dist. restrs. and SS energy: -207.000 (S_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: 127
Temperature: 1.050000
Total energy: -1290.008032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.008032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.808032 (E_RNA)
where:
Base-Base interactions energy: -767.373
where: short stacking energy: -308.688
Base-Backbone interact. energy: -1.846
local terms energy: -315.588909
where:
bonds (distance) C4'-P energy: -50.411
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -84.784
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -77.981
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1244.343091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.343091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.943091 (E_RNA)
where:
Base-Base interactions energy: -705.999
where: short stacking energy: -279.952
Base-Backbone interact. energy: -1.176
local terms energy: -333.768503
where:
bonds (distance) C4'-P energy: -64.448
bonds (distance) P-C4' energy: -56.630
flat angles C4'-P-C4' energy: -82.943
flat angles P-C4'-P energy: -50.353
tors. eta vs tors. theta energy: -79.395
Dist. restrs. and SS energy: -203.400 (S_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: 127
Temperature: 1.150000
Total energy: -1252.594042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.594042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.194042 (E_RNA)
where:
Base-Base interactions energy: -744.624
where: short stacking energy: -320.120
Base-Backbone interact. energy: -0.779
local terms energy: -294.790385
where:
bonds (distance) C4'-P energy: -50.417
bonds (distance) P-C4' energy: -58.391
flat angles C4'-P-C4' energy: -72.459
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -67.436
Dist. restrs. and SS energy: -212.400 (S_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: 127
Temperature: 1.200000
Total energy: -1186.767468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.767468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.567468 (E_RNA)
where:
Base-Base interactions energy: -678.105
where: short stacking energy: -274.861
Base-Backbone interact. energy: -0.221
local terms energy: -312.241502
where:
bonds (distance) C4'-P energy: -64.365
bonds (distance) P-C4' energy: -69.714
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -65.356
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1055.583483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.583483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.583483 (E_RNA)
where:
Base-Base interactions energy: -609.462
where: short stacking energy: -259.475
Base-Backbone interact. energy: -3.044
local terms energy: -263.078228
where:
bonds (distance) C4'-P energy: -38.268
bonds (distance) P-C4' energy: -57.032
flat angles C4'-P-C4' energy: -63.936
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: -180.000 (S_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: 127
Temperature: 1.300000
Total energy: -1094.393680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.393680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.193680 (E_RNA)
where:
Base-Base interactions energy: -622.983
where: short stacking energy: -259.771
Base-Backbone interact. energy: -1.483
local terms energy: -273.727973
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -64.784
flat angles P-C4'-P energy: -41.868
tors. eta vs tors. theta energy: -59.665
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -951.791647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.791647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.391647 (E_RNA)
where:
Base-Base interactions energy: -549.376
where: short stacking energy: -229.691
Base-Backbone interact. energy: 3.015
local terms energy: -247.030661
where:
bonds (distance) C4'-P energy: -56.890
bonds (distance) P-C4' energy: -54.222
flat angles C4'-P-C4' energy: -63.564
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -34.918
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1480.816602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.816602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.816602 (E_RNA)
where:
Base-Base interactions energy: -905.464
where: short stacking energy: -343.271
Base-Backbone interact. energy: -3.571
local terms energy: -373.781580
where:
bonds (distance) C4'-P energy: -76.446
bonds (distance) P-C4' energy: -70.183
flat angles C4'-P-C4' energy: -80.993
flat angles P-C4'-P energy: -49.699
tors. eta vs tors. theta energy: -96.460
Dist. restrs. and SS energy: -198.000 (S_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: 128
Temperature: 0.950000
Total energy: -1427.332357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.332357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.732357 (E_RNA)
where:
Base-Base interactions energy: -846.617
where: short stacking energy: -346.245
Base-Backbone interact. energy: -2.073
local terms energy: -377.041820
where:
bonds (distance) C4'-P energy: -69.488
bonds (distance) P-C4' energy: -68.894
flat angles C4'-P-C4' energy: -84.755
flat angles P-C4'-P energy: -55.477
tors. eta vs tors. theta energy: -98.428
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1329.215833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.215833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.415833 (E_RNA)
where:
Base-Base interactions energy: -760.273
where: short stacking energy: -322.206
Base-Backbone interact. energy: -4.202
local terms energy: -355.940724
where:
bonds (distance) C4'-P energy: -73.055
bonds (distance) P-C4' energy: -73.656
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -50.717
tors. eta vs tors. theta energy: -85.931
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1340.094754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.094754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.094754 (E_RNA)
where:
Base-Base interactions energy: -785.239
where: short stacking energy: -324.301
Base-Backbone interact. energy: -1.959
local terms energy: -345.896170
where:
bonds (distance) C4'-P energy: -65.934
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -72.482
flat angles P-C4'-P energy: -50.773
tors. eta vs tors. theta energy: -90.913
Dist. restrs. and SS energy: -207.000 (S_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: -1276.566590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.566590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.766590 (E_RNA)
where:
Base-Base interactions energy: -746.353
where: short stacking energy: -292.335
Base-Backbone interact. energy: 8.558
local terms energy: -338.971551
where:
bonds (distance) C4'-P energy: -68.669
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -56.283
tors. eta vs tors. theta energy: -81.801
Dist. restrs. and SS energy: -199.800 (S_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: 128
Temperature: 1.150000
Total energy: -1250.352161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.352161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.952161 (E_RNA)
where:
Base-Base interactions energy: -740.455
where: short stacking energy: -303.637
Base-Backbone interact. energy: 0.212
local terms energy: -297.709326
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -59.399
flat angles C4'-P-C4' energy: -66.985
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -66.646
Dist. restrs. and SS energy: -212.400 (S_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: 128
Temperature: 1.200000
Total energy: -1165.513315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.513315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.313315 (E_RNA)
where:
Base-Base interactions energy: -687.307
where: short stacking energy: -292.266
Base-Backbone interact. energy: -0.174
local terms energy: -281.832502
where:
bonds (distance) C4'-P energy: -63.978
bonds (distance) P-C4' energy: -58.966
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -59.444
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1079.465126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.465126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.665126 (E_RNA)
where:
Base-Base interactions energy: -597.548
where: short stacking energy: -248.570
Base-Backbone interact. energy: -2.329
local terms energy: -297.787782
where:
bonds (distance) C4'-P energy: -51.510
bonds (distance) P-C4' energy: -75.466
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -68.065
Dist. restrs. and SS energy: -181.800 (S_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: 128
Temperature: 1.300000
Total energy: -1078.609684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.609684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.609684 (E_RNA)
where:
Base-Base interactions energy: -615.789
where: short stacking energy: -246.819
Base-Backbone interact. energy: 4.038
local terms energy: -268.858973
where:
bonds (distance) C4'-P energy: -53.844
bonds (distance) P-C4' energy: -66.295
flat angles C4'-P-C4' energy: -69.862
flat angles P-C4'-P energy: -33.923
tors. eta vs tors. theta energy: -44.935
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -939.691608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.691608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.691608 (E_RNA)
where:
Base-Base interactions energy: -532.420
where: short stacking energy: -210.381
Base-Backbone interact. energy: -0.694
local terms energy: -244.577646
where:
bonds (distance) C4'-P energy: -63.962
bonds (distance) P-C4' energy: -52.000
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -34.602
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1483.393074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.393074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.793074 (E_RNA)
where:
Base-Base interactions energy: -898.806
where: short stacking energy: -350.396
Base-Backbone interact. energy: -4.480
local terms energy: -378.507742
where:
bonds (distance) C4'-P energy: -75.459
bonds (distance) P-C4' energy: -72.893
flat angles C4'-P-C4' energy: -81.913
flat angles P-C4'-P energy: -52.280
tors. eta vs tors. theta energy: -95.963
Dist. restrs. and SS energy: -201.600 (S_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: 129
Temperature: 0.950000
Total energy: -1405.716984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.716984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.116984 (E_RNA)
where:
Base-Base interactions energy: -838.162
where: short stacking energy: -346.562
Base-Backbone interact. energy: -1.798
local terms energy: -364.156457
where:
bonds (distance) C4'-P energy: -64.766
bonds (distance) P-C4' energy: -75.290
flat angles C4'-P-C4' energy: -78.259
flat angles P-C4'-P energy: -49.680
tors. eta vs tors. theta energy: -96.162
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1351.611782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.611782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.411782 (E_RNA)
where:
Base-Base interactions energy: -778.709
where: short stacking energy: -338.252
Base-Backbone interact. energy: -1.528
local terms energy: -366.175139
where:
bonds (distance) C4'-P energy: -63.916
bonds (distance) P-C4' energy: -77.968
flat angles C4'-P-C4' energy: -78.656
flat angles P-C4'-P energy: -51.959
tors. eta vs tors. theta energy: -93.675
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1328.817619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.817619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.817619 (E_RNA)
where:
Base-Base interactions energy: -787.563
where: short stacking energy: -311.984
Base-Backbone interact. energy: 1.557
local terms energy: -335.811629
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -63.429
flat angles C4'-P-C4' energy: -72.637
flat angles P-C4'-P energy: -50.660
tors. eta vs tors. theta energy: -90.193
Dist. restrs. and SS energy: -207.000 (S_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: 129
Temperature: 1.100000
Total energy: -1275.105723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.105723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.905723 (E_RNA)
where:
Base-Base interactions energy: -732.941
where: short stacking energy: -294.470
Base-Backbone interact. energy: -0.783
local terms energy: -336.182068
where:
bonds (distance) C4'-P energy: -66.134
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -74.050
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -72.039
Dist. restrs. and SS energy: -205.200 (S_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: 129
Temperature: 1.150000
Total energy: -1256.041827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.041827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.441827 (E_RNA)
where:
Base-Base interactions energy: -723.885
where: short stacking energy: -311.846
Base-Backbone interact. energy: -1.376
local terms energy: -320.180761
where:
bonds (distance) C4'-P energy: -61.034
bonds (distance) P-C4' energy: -68.149
flat angles C4'-P-C4' energy: -71.269
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: -210.600 (S_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: 129
Temperature: 1.200000
Total energy: -1142.107843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.107843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.107843 (E_RNA)
where:
Base-Base interactions energy: -653.463
where: short stacking energy: -265.708
Base-Backbone interact. energy: 4.993
local terms energy: -295.638214
where:
bonds (distance) C4'-P energy: -63.555
bonds (distance) P-C4' energy: -62.708
flat angles C4'-P-C4' energy: -65.854
flat angles P-C4'-P energy: -46.718
tors. eta vs tors. theta energy: -56.804
Dist. restrs. and SS energy: -198.000 (S_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: 129
Temperature: 1.250000
Total energy: -1105.121081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.121081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.321081 (E_RNA)
where:
Base-Base interactions energy: -613.727
where: short stacking energy: -239.569
Base-Backbone interact. energy: 2.755
local terms energy: -294.349582
where:
bonds (distance) C4'-P energy: -67.781
bonds (distance) P-C4' energy: -68.739
flat angles C4'-P-C4' energy: -59.399
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -49.959
Dist. restrs. and SS energy: -199.800 (S_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: 129
Temperature: 1.300000
Total energy: -1029.247353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.247353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.647353 (E_RNA)
where:
Base-Base interactions energy: -569.393
where: short stacking energy: -238.629
Base-Backbone interact. energy: -2.401
local terms energy: -282.854136
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -60.449
flat angles C4'-P-C4' energy: -53.004
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -64.119
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -963.210985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.210985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.410985 (E_RNA)
where:
Base-Base interactions energy: -537.976
where: short stacking energy: -212.758
Base-Backbone interact. energy: -2.297
local terms energy: -259.137105
where:
bonds (distance) C4'-P energy: -60.199
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -37.947
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1456.666471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.666471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.666471 (E_RNA)
where:
Base-Base interactions energy: -894.523
where: short stacking energy: -353.093
Base-Backbone interact. energy: -3.866
local terms energy: -360.277108
where:
bonds (distance) C4'-P energy: -64.806
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -72.928
flat angles P-C4'-P energy: -53.243
tors. eta vs tors. theta energy: -95.284
Dist. restrs. and SS energy: -198.000 (S_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: 130
Temperature: 0.950000
Total energy: -1402.247073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.247073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.647073 (E_RNA)
where:
Base-Base interactions energy: -829.619
where: short stacking energy: -344.669
Base-Backbone interact. energy: -3.376
local terms energy: -367.651619
where:
bonds (distance) C4'-P energy: -75.882
bonds (distance) P-C4' energy: -68.392
flat angles C4'-P-C4' energy: -77.675
flat angles P-C4'-P energy: -53.523
tors. eta vs tors. theta energy: -92.181
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1397.962115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.962115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.762115 (E_RNA)
where:
Base-Base interactions energy: -810.163
where: short stacking energy: -340.289
Base-Backbone interact. energy: -0.715
local terms energy: -381.884083
where:
bonds (distance) C4'-P energy: -68.061
bonds (distance) P-C4' energy: -71.258
flat angles C4'-P-C4' energy: -80.667
flat angles P-C4'-P energy: -56.718
tors. eta vs tors. theta energy: -105.178
Dist. restrs. and SS energy: -205.200 (S_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: 130
Temperature: 1.050000
Total energy: -1315.129176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.129176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.529176 (E_RNA)
where:
Base-Base interactions energy: -769.753
where: short stacking energy: -314.704
Base-Backbone interact. energy: 0.121
local terms energy: -343.896521
where:
bonds (distance) C4'-P energy: -73.736
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -50.799
tors. eta vs tors. theta energy: -81.642
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1292.228058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.228058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.028058 (E_RNA)
where:
Base-Base interactions energy: -759.699
where: short stacking energy: -323.533
Base-Backbone interact. energy: -3.013
local terms energy: -315.316292
where:
bonds (distance) C4'-P energy: -58.795
bonds (distance) P-C4' energy: -55.368
flat angles C4'-P-C4' energy: -71.584
flat angles P-C4'-P energy: -48.924
tors. eta vs tors. theta energy: -80.645
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1229.870532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.870532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.670532 (E_RNA)
where:
Base-Base interactions energy: -702.737
where: short stacking energy: -291.993
Base-Backbone interact. energy: 2.675
local terms energy: -333.608016
where:
bonds (distance) C4'-P energy: -62.266
bonds (distance) P-C4' energy: -68.200
flat angles C4'-P-C4' energy: -71.850
flat angles P-C4'-P energy: -53.429
tors. eta vs tors. theta energy: -77.863
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1161.537938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.537938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.337938 (E_RNA)
where:
Base-Base interactions energy: -656.211
where: short stacking energy: -261.097
Base-Backbone interact. energy: 0.388
local terms energy: -309.514188
where:
bonds (distance) C4'-P energy: -65.784
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -72.179
flat angles P-C4'-P energy: -50.767
tors. eta vs tors. theta energy: -63.782
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1113.080254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.080254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.880254 (E_RNA)
where:
Base-Base interactions energy: -629.631
where: short stacking energy: -250.767
Base-Backbone interact. energy: -2.858
local terms energy: -284.390567
where:
bonds (distance) C4'-P energy: -52.587
bonds (distance) P-C4' energy: -62.700
flat angles C4'-P-C4' energy: -65.456
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -50.794
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1024.712657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.712657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.312657 (E_RNA)
where:
Base-Base interactions energy: -558.296
where: short stacking energy: -229.145
Base-Backbone interact. energy: -1.297
local terms energy: -279.720276
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -59.529
flat angles C4'-P-C4' energy: -71.868
flat angles P-C4'-P energy: -54.116
tors. eta vs tors. theta energy: -43.437
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -927.562751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.562751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.362751 (E_RNA)
where:
Base-Base interactions energy: -518.234
where: short stacking energy: -214.448
Base-Backbone interact. energy: 0.300
local terms energy: -249.428862
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -64.298
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1480.352917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.352917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.552917 (E_RNA)
where:
Base-Base interactions energy: -894.070
where: short stacking energy: -339.690
Base-Backbone interact. energy: -5.914
local terms energy: -380.568271
where:
bonds (distance) C4'-P energy: -71.909
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -80.438
flat angles P-C4'-P energy: -56.313
tors. eta vs tors. theta energy: -97.861
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1415.803516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.803516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.003516 (E_RNA)
where:
Base-Base interactions energy: -837.577
where: short stacking energy: -351.967
Base-Backbone interact. energy: 1.815
local terms energy: -371.241918
where:
bonds (distance) C4'-P energy: -67.176
bonds (distance) P-C4' energy: -62.772
flat angles C4'-P-C4' energy: -77.747
flat angles P-C4'-P energy: -56.537
tors. eta vs tors. theta energy: -107.010
Dist. restrs. and SS energy: -208.800 (S_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: -1368.947093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.947093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.147093 (E_RNA)
where:
Base-Base interactions energy: -802.205
where: short stacking energy: -320.020
Base-Backbone interact. energy: -1.872
local terms energy: -365.069276
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -71.263
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: -96.074
Dist. restrs. and SS energy: -199.800 (S_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: 131
Temperature: 1.050000
Total energy: -1323.769715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.769715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.569715 (E_RNA)
where:
Base-Base interactions energy: -776.860
where: short stacking energy: -313.361
Base-Backbone interact. energy: -1.375
local terms energy: -331.334537
where:
bonds (distance) C4'-P energy: -63.962
bonds (distance) P-C4' energy: -70.712
flat angles C4'-P-C4' energy: -73.016
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -78.198
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1287.450415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.450415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.050415 (E_RNA)
where:
Base-Base interactions energy: -743.936
where: short stacking energy: -307.199
Base-Backbone interact. energy: 1.729
local terms energy: -341.843178
where:
bonds (distance) C4'-P energy: -67.709
bonds (distance) P-C4' energy: -72.923
flat angles C4'-P-C4' energy: -78.066
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: -82.866
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1243.875867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.875867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.275867 (E_RNA)
where:
Base-Base interactions energy: -731.201
where: short stacking energy: -295.125
Base-Backbone interact. energy: 5.798
local terms energy: -316.872844
where:
bonds (distance) C4'-P energy: -54.743
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -74.488
flat angles P-C4'-P energy: -48.835
tors. eta vs tors. theta energy: -79.919
Dist. restrs. and SS energy: -201.600 (S_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: 131
Temperature: 1.200000
Total energy: -1175.527937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.527937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.527937 (E_RNA)
where:
Base-Base interactions energy: -682.297
where: short stacking energy: -263.710
Base-Backbone interact. energy: -0.760
local terms energy: -294.471252
where:
bonds (distance) C4'-P energy: -60.492
bonds (distance) P-C4' energy: -73.160
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -61.962
Dist. restrs. and SS energy: -198.000 (S_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: 131
Temperature: 1.250000
Total energy: -1105.068827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.068827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.268827 (E_RNA)
where:
Base-Base interactions energy: -612.554
where: short stacking energy: -239.949
Base-Backbone interact. energy: -2.228
local terms energy: -290.486820
where:
bonds (distance) C4'-P energy: -62.128
bonds (distance) P-C4' energy: -56.658
flat angles C4'-P-C4' energy: -66.493
flat angles P-C4'-P energy: -50.515
tors. eta vs tors. theta energy: -54.693
Dist. restrs. and SS energy: -199.800 (S_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: -1030.972414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.972414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.372414 (E_RNA)
where:
Base-Base interactions energy: -601.403
where: short stacking energy: -255.700
Base-Backbone interact. energy: -0.888
local terms energy: -245.081674
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -51.168
flat angles C4'-P-C4' energy: -63.033
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -55.524
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -876.722216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.722216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.722216 (E_RNA)
where:
Base-Base interactions energy: -480.539
where: short stacking energy: -181.970
Base-Backbone interact. energy: -1.233
local terms energy: -232.951168
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -74.139
flat angles C4'-P-C4' energy: -52.118
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -31.243
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1492.362885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.362885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.162885 (E_RNA)
where:
Base-Base interactions energy: -915.479
where: short stacking energy: -330.920
Base-Backbone interact. energy: -3.354
local terms energy: -377.330083
where:
bonds (distance) C4'-P energy: -80.490
bonds (distance) P-C4' energy: -73.488
flat angles C4'-P-C4' energy: -81.477
flat angles P-C4'-P energy: -52.992
tors. eta vs tors. theta energy: -88.883
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1452.771856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.771856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.571856 (E_RNA)
where:
Base-Base interactions energy: -848.538
where: short stacking energy: -362.796
Base-Backbone interact. energy: -1.657
local terms energy: -397.377004
where:
bonds (distance) C4'-P energy: -75.757
bonds (distance) P-C4' energy: -67.237
flat angles C4'-P-C4' energy: -84.711
flat angles P-C4'-P energy: -59.909
tors. eta vs tors. theta energy: -109.763
Dist. restrs. and SS energy: -205.200 (S_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: -1379.231824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.231824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.431824 (E_RNA)
where:
Base-Base interactions energy: -822.104
where: short stacking energy: -341.254
Base-Backbone interact. energy: -1.839
local terms energy: -355.488715
where:
bonds (distance) C4'-P energy: -66.433
bonds (distance) P-C4' energy: -64.651
flat angles C4'-P-C4' energy: -77.657
flat angles P-C4'-P energy: -50.594
tors. eta vs tors. theta energy: -96.154
Dist. restrs. and SS energy: -199.800 (S_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: 132
Temperature: 1.050000
Total energy: -1326.069932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.069932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.669932 (E_RNA)
where:
Base-Base interactions energy: -772.991
where: short stacking energy: -324.074
Base-Backbone interact. energy: -2.692
local terms energy: -337.987057
where:
bonds (distance) C4'-P energy: -58.735
bonds (distance) P-C4' energy: -68.141
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -81.660
Dist. restrs. and SS energy: -212.400 (S_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: 132
Temperature: 1.100000
Total energy: -1294.647467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.647467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.647467 (E_RNA)
where:
Base-Base interactions energy: -752.317
where: short stacking energy: -319.845
Base-Backbone interact. energy: 3.910
local terms energy: -339.241050
where:
bonds (distance) C4'-P energy: -59.917
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -82.522
flat angles P-C4'-P energy: -56.190
tors. eta vs tors. theta energy: -86.327
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1243.562037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.562037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.162037 (E_RNA)
where:
Base-Base interactions energy: -738.991
where: short stacking energy: -279.509
Base-Backbone interact. energy: -1.247
local terms energy: -299.924384
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -58.757
flat angles C4'-P-C4' energy: -69.100
flat angles P-C4'-P energy: -40.783
tors. eta vs tors. theta energy: -74.150
Dist. restrs. and SS energy: -203.400 (S_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: 132
Temperature: 1.200000
Total energy: -1179.229841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.229841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.429841 (E_RNA)
where:
Base-Base interactions energy: -693.966
where: short stacking energy: -284.553
Base-Backbone interact. energy: -2.242
local terms energy: -283.222518
where:
bonds (distance) C4'-P energy: -54.158
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -65.044
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -65.243
Dist. restrs. and SS energy: -199.800 (S_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: 132
Temperature: 1.250000
Total energy: -1123.142086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.142086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.542086 (E_RNA)
where:
Base-Base interactions energy: -647.932
where: short stacking energy: -256.213
Base-Backbone interact. energy: 1.777
local terms energy: -275.387695
where:
bonds (distance) C4'-P energy: -61.125
bonds (distance) P-C4' energy: -64.846
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -51.508
Dist. restrs. and SS energy: -201.600 (S_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: 132
Temperature: 1.300000
Total energy: -1027.123646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.123646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.723646 (E_RNA)
where:
Base-Base interactions energy: -554.057
where: short stacking energy: -218.779
Base-Backbone interact. energy: -1.659
local terms energy: -286.007961
where:
bonds (distance) C4'-P energy: -59.887
bonds (distance) P-C4' energy: -69.162
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -46.951
tors. eta vs tors. theta energy: -39.770
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -907.485886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.485886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.885886 (E_RNA)
where:
Base-Base interactions energy: -503.497
where: short stacking energy: -211.385
Base-Backbone interact. energy: -2.488
local terms energy: -235.900184
where:
bonds (distance) C4'-P energy: -51.780
bonds (distance) P-C4' energy: -63.332
flat angles C4'-P-C4' energy: -57.636
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1471.075760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.075760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.275760 (E_RNA)
where:
Base-Base interactions energy: -895.585
where: short stacking energy: -341.722
Base-Backbone interact. energy: -2.826
local terms energy: -372.864789
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -72.007
flat angles C4'-P-C4' energy: -86.685
flat angles P-C4'-P energy: -48.579
tors. eta vs tors. theta energy: -90.577
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1450.396629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.396629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.996629 (E_RNA)
where:
Base-Base interactions energy: -861.496
where: short stacking energy: -352.624
Base-Backbone interact. energy: -0.672
local terms energy: -384.829435
where:
bonds (distance) C4'-P energy: -69.367
bonds (distance) P-C4' energy: -75.450
flat angles C4'-P-C4' energy: -78.393
flat angles P-C4'-P energy: -55.364
tors. eta vs tors. theta energy: -106.256
Dist. restrs. and SS energy: -203.400 (S_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: -1377.294818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.294818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.094818 (E_RNA)
where:
Base-Base interactions energy: -821.831
where: short stacking energy: -323.659
Base-Backbone interact. energy: -2.045
local terms energy: -357.218770
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -76.974
flat angles C4'-P-C4' energy: -73.922
flat angles P-C4'-P energy: -50.901
tors. eta vs tors. theta energy: -91.028
Dist. restrs. and SS energy: -196.200 (S_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: 133
Temperature: 1.050000
Total energy: -1319.566121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.566121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.566121 (E_RNA)
where:
Base-Base interactions energy: -764.677
where: short stacking energy: -331.119
Base-Backbone interact. energy: -1.514
local terms energy: -346.375462
where:
bonds (distance) C4'-P energy: -66.156
bonds (distance) P-C4' energy: -69.005
flat angles C4'-P-C4' energy: -74.362
flat angles P-C4'-P energy: -53.633
tors. eta vs tors. theta energy: -83.220
Dist. restrs. and SS energy: -207.000 (S_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: 133
Temperature: 1.100000
Total energy: -1271.521886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.521886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.721886 (E_RNA)
where:
Base-Base interactions energy: -727.000
where: short stacking energy: -304.331
Base-Backbone interact. energy: -1.101
local terms energy: -343.620514
where:
bonds (distance) C4'-P energy: -73.534
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -71.824
flat angles P-C4'-P energy: -48.981
tors. eta vs tors. theta energy: -78.975
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1221.594715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.594715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.794715 (E_RNA)
where:
Base-Base interactions energy: -711.115
where: short stacking energy: -293.565
Base-Backbone interact. energy: -2.059
local terms energy: -308.621275
where:
bonds (distance) C4'-P energy: -62.856
bonds (distance) P-C4' energy: -60.215
flat angles C4'-P-C4' energy: -60.899
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -71.973
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1221.830179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.830179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.630179 (E_RNA)
where:
Base-Base interactions energy: -736.798
where: short stacking energy: -287.849
Base-Backbone interact. energy: -1.671
local terms energy: -287.160982
where:
bonds (distance) C4'-P energy: -55.929
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -75.950
flat angles P-C4'-P energy: -36.435
tors. eta vs tors. theta energy: -65.356
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1127.146452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.146452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.346452 (E_RNA)
where:
Base-Base interactions energy: -644.232
where: short stacking energy: -287.388
Base-Backbone interact. energy: 0.525
local terms energy: -283.639498
where:
bonds (distance) C4'-P energy: -56.194
bonds (distance) P-C4' energy: -51.862
flat angles C4'-P-C4' energy: -65.901
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -70.300
Dist. restrs. and SS energy: -199.800 (S_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: 133
Temperature: 1.300000
Total energy: -1027.630314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.630314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.030314 (E_RNA)
where:
Base-Base interactions energy: -593.128
where: short stacking energy: -241.993
Base-Backbone interact. energy: 0.441
local terms energy: -251.343812
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -64.508
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -45.359
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -886.673296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.673296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.873296 (E_RNA)
where:
Base-Base interactions energy: -501.043
where: short stacking energy: -202.845
Base-Backbone interact. energy: -1.706
local terms energy: -220.123971
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -54.973
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -36.691
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1480.014512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.014512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.214512 (E_RNA)
where:
Base-Base interactions energy: -890.370
where: short stacking energy: -343.760
Base-Backbone interact. energy: -1.288
local terms energy: -388.557053
where:
bonds (distance) C4'-P energy: -75.824
bonds (distance) P-C4' energy: -78.222
flat angles C4'-P-C4' energy: -81.652
flat angles P-C4'-P energy: -53.202
tors. eta vs tors. theta energy: -99.657
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1458.580616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.580616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.380616 (E_RNA)
where:
Base-Base interactions energy: -844.261
where: short stacking energy: -377.573
Base-Backbone interact. energy: -2.159
local terms energy: -406.960532
where:
bonds (distance) C4'-P energy: -77.468
bonds (distance) P-C4' energy: -77.203
flat angles C4'-P-C4' energy: -81.565
flat angles P-C4'-P energy: -62.277
tors. eta vs tors. theta energy: -108.447
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1356.147893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.147893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.147893 (E_RNA)
where:
Base-Base interactions energy: -825.172
where: short stacking energy: -314.828
Base-Backbone interact. energy: -2.500
local terms energy: -330.475986
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -74.572
flat angles C4'-P-C4' energy: -78.192
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -80.194
Dist. restrs. and SS energy: -198.000 (S_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: 134
Temperature: 1.050000
Total energy: -1330.288608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.288608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.888608 (E_RNA)
where:
Base-Base interactions energy: -773.466
where: short stacking energy: -330.089
Base-Backbone interact. energy: -2.410
local terms energy: -342.012367
where:
bonds (distance) C4'-P energy: -61.152
bonds (distance) P-C4' energy: -75.199
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -83.824
Dist. restrs. and SS energy: -212.400 (S_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: 134
Temperature: 1.100000
Total energy: -1272.063993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.063993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.063993 (E_RNA)
where:
Base-Base interactions energy: -733.859
where: short stacking energy: -292.228
Base-Backbone interact. energy: -1.191
local terms energy: -330.013280
where:
bonds (distance) C4'-P energy: -64.641
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -75.575
flat angles P-C4'-P energy: -52.838
tors. eta vs tors. theta energy: -77.302
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1245.860437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.860437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.860437 (E_RNA)
where:
Base-Base interactions energy: -716.926
where: short stacking energy: -299.247
Base-Backbone interact. energy: -0.343
local terms energy: -321.591967
where:
bonds (distance) C4'-P energy: -65.973
bonds (distance) P-C4' energy: -66.115
flat angles C4'-P-C4' energy: -74.363
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -68.487
Dist. restrs. and SS energy: -207.000 (S_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: -1220.384859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.384859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.184859 (E_RNA)
where:
Base-Base interactions energy: -730.482
where: short stacking energy: -287.177
Base-Backbone interact. energy: -0.710
local terms energy: -292.992640
where:
bonds (distance) C4'-P energy: -69.415
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -35.559
tors. eta vs tors. theta energy: -66.746
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1144.397782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.397782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.397782 (E_RNA)
where:
Base-Base interactions energy: -657.319
where: short stacking energy: -275.442
Base-Backbone interact. energy: -0.847
local terms energy: -288.232495
where:
bonds (distance) C4'-P energy: -60.358
bonds (distance) P-C4' energy: -57.233
flat angles C4'-P-C4' energy: -66.891
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -62.562
Dist. restrs. and SS energy: -198.000 (S_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: 134
Temperature: 1.300000
Total energy: -1030.890957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.890957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.090957 (E_RNA)
where:
Base-Base interactions energy: -579.143
where: short stacking energy: -224.856
Base-Backbone interact. energy: -1.587
local terms energy: -268.360900
where:
bonds (distance) C4'-P energy: -63.792
bonds (distance) P-C4' energy: -66.673
flat angles C4'-P-C4' energy: -58.123
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -48.141
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -889.623476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.623476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.823476 (E_RNA)
where:
Base-Base interactions energy: -497.109
where: short stacking energy: -200.113
Base-Backbone interact. energy: -2.165
local terms energy: -226.549378
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -68.140
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -26.726
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1461.057029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.057029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.257029 (E_RNA)
where:
Base-Base interactions energy: -888.523
where: short stacking energy: -337.464
Base-Backbone interact. energy: -0.797
local terms energy: -371.937003
where:
bonds (distance) C4'-P energy: -73.666
bonds (distance) P-C4' energy: -70.298
flat angles C4'-P-C4' energy: -75.470
flat angles P-C4'-P energy: -56.047
tors. eta vs tors. theta energy: -96.457
Dist. restrs. and SS energy: -199.800 (S_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: 135
Temperature: 0.950000
Total energy: -1452.516675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.516675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.716675 (E_RNA)
where:
Base-Base interactions energy: -863.707
where: short stacking energy: -370.264
Base-Backbone interact. energy: 0.693
local terms energy: -380.703066
where:
bonds (distance) C4'-P energy: -66.089
bonds (distance) P-C4' energy: -71.515
flat angles C4'-P-C4' energy: -76.464
flat angles P-C4'-P energy: -60.897
tors. eta vs tors. theta energy: -105.737
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1337.780346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.780346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.580346 (E_RNA)
where:
Base-Base interactions energy: -804.253
where: short stacking energy: -316.099
Base-Backbone interact. energy: -2.438
local terms energy: -334.888979
where:
bonds (distance) C4'-P energy: -66.016
bonds (distance) P-C4' energy: -67.039
flat angles C4'-P-C4' energy: -81.645
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -80.261
Dist. restrs. and SS energy: -196.200 (S_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: 135
Temperature: 1.050000
Total energy: -1342.213923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.213923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.813923 (E_RNA)
where:
Base-Base interactions energy: -782.403
where: short stacking energy: -327.604
Base-Backbone interact. energy: -3.167
local terms energy: -344.243486
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -67.894
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -56.656
tors. eta vs tors. theta energy: -86.515
Dist. restrs. and SS energy: -212.400 (S_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: 135
Temperature: 1.100000
Total energy: -1305.441354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.441354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.441354 (E_RNA)
where:
Base-Base interactions energy: -769.783
where: short stacking energy: -326.732
Base-Backbone interact. energy: 0.177
local terms energy: -328.834883
where:
bonds (distance) C4'-P energy: -72.766
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -69.119
flat angles P-C4'-P energy: -52.849
tors. eta vs tors. theta energy: -76.703
Dist. restrs. and SS energy: -207.000 (S_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: -1219.141169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.141169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.141169 (E_RNA)
where:
Base-Base interactions energy: -707.939
where: short stacking energy: -269.622
Base-Backbone interact. energy: 0.004
local terms energy: -313.205295
where:
bonds (distance) C4'-P energy: -64.475
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -61.309
Dist. restrs. and SS energy: -198.000 (S_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: 135
Temperature: 1.200000
Total energy: -1177.729578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.729578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.529578 (E_RNA)
where:
Base-Base interactions energy: -673.992
where: short stacking energy: -283.619
Base-Backbone interact. energy: 1.395
local terms energy: -299.933009
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -54.582
flat angles C4'-P-C4' energy: -69.805
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -67.488
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1133.195220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.195220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.595220 (E_RNA)
where:
Base-Base interactions energy: -633.086
where: short stacking energy: -258.316
Base-Backbone interact. energy: -0.879
local terms energy: -297.630101
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -70.115
flat angles C4'-P-C4' energy: -69.449
flat angles P-C4'-P energy: -39.784
tors. eta vs tors. theta energy: -63.993
Dist. restrs. and SS energy: -201.600 (S_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: 135
Temperature: 1.300000
Total energy: -1033.381376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.381376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.381376 (E_RNA)
where:
Base-Base interactions energy: -598.409
where: short stacking energy: -243.854
Base-Backbone interact. energy: -0.145
local terms energy: -254.826895
where:
bonds (distance) C4'-P energy: -49.145
bonds (distance) P-C4' energy: -59.251
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -31.516
tors. eta vs tors. theta energy: -49.057
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -909.192744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.192744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.792744 (E_RNA)
where:
Base-Base interactions energy: -503.102
where: short stacking energy: -205.847
Base-Backbone interact. energy: 0.480
local terms energy: -248.170543
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -72.250
flat angles C4'-P-C4' energy: -53.575
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -32.474
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1463.551293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.551293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.351293 (E_RNA)
where:
Base-Base interactions energy: -894.791
where: short stacking energy: -345.370
Base-Backbone interact. energy: -2.661
local terms energy: -369.899208
where:
bonds (distance) C4'-P energy: -70.146
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -88.967
flat angles P-C4'-P energy: -53.042
tors. eta vs tors. theta energy: -85.726
Dist. restrs. and SS energy: -196.200 (S_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: 136
Temperature: 0.950000
Total energy: -1446.850597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.850597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.050597 (E_RNA)
where:
Base-Base interactions energy: -844.132
where: short stacking energy: -375.429
Base-Backbone interact. energy: -2.859
local terms energy: -391.058748
where:
bonds (distance) C4'-P energy: -75.351
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -84.386
flat angles P-C4'-P energy: -57.734
tors. eta vs tors. theta energy: -107.182
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1326.976155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.976155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.376155 (E_RNA)
where:
Base-Base interactions energy: -782.078
where: short stacking energy: -323.033
Base-Backbone interact. energy: -2.837
local terms energy: -340.461667
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -77.600
flat angles C4'-P-C4' energy: -73.568
flat angles P-C4'-P energy: -45.469
tors. eta vs tors. theta energy: -80.625
Dist. restrs. and SS energy: -201.600 (S_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: 136
Temperature: 1.050000
Total energy: -1316.644175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.644175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.444175 (E_RNA)
where:
Base-Base interactions energy: -751.970
where: short stacking energy: -322.824
Base-Backbone interact. energy: -1.171
local terms energy: -349.303722
where:
bonds (distance) C4'-P energy: -69.647
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -72.346
flat angles P-C4'-P energy: -61.852
tors. eta vs tors. theta energy: -87.207
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1239.866423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.866423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.466423 (E_RNA)
where:
Base-Base interactions energy: -708.529
where: short stacking energy: -294.849
Base-Backbone interact. energy: -1.723
local terms energy: -326.214689
where:
bonds (distance) C4'-P energy: -64.734
bonds (distance) P-C4' energy: -63.880
flat angles C4'-P-C4' energy: -70.535
flat angles P-C4'-P energy: -50.159
tors. eta vs tors. theta energy: -76.908
Dist. restrs. and SS energy: -203.400 (S_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: 136
Temperature: 1.150000
Total energy: -1243.828964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.828964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.828964 (E_RNA)
where:
Base-Base interactions energy: -714.905
where: short stacking energy: -279.029
Base-Backbone interact. energy: 1.374
local terms energy: -323.297682
where:
bonds (distance) C4'-P energy: -69.068
bonds (distance) P-C4' energy: -71.714
flat angles C4'-P-C4' energy: -74.418
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -65.664
Dist. restrs. and SS energy: -207.000 (S_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: 136
Temperature: 1.200000
Total energy: -1159.940267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.940267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.540267 (E_RNA)
where:
Base-Base interactions energy: -662.951
where: short stacking energy: -264.108
Base-Backbone interact. energy: -1.336
local terms energy: -301.253318
where:
bonds (distance) C4'-P energy: -56.155
bonds (distance) P-C4' energy: -55.589
flat angles C4'-P-C4' energy: -70.985
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -74.859
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1175.915248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.915248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.115248 (E_RNA)
where:
Base-Base interactions energy: -677.296
where: short stacking energy: -275.572
Base-Backbone interact. energy: -0.552
local terms energy: -298.266854
where:
bonds (distance) C4'-P energy: -60.631
bonds (distance) P-C4' energy: -67.861
flat angles C4'-P-C4' energy: -62.780
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -73.619
Dist. restrs. and SS energy: -199.800 (S_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: 136
Temperature: 1.300000
Total energy: -1045.040504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.040504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.840504 (E_RNA)
where:
Base-Base interactions energy: -582.502
where: short stacking energy: -242.410
Base-Backbone interact. energy: -1.806
local terms energy: -282.532049
where:
bonds (distance) C4'-P energy: -58.121
bonds (distance) P-C4' energy: -65.764
flat angles C4'-P-C4' energy: -68.560
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: -48.404
Dist. restrs. and SS energy: -178.200 (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: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -951.896426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.896426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.496426 (E_RNA)
where:
Base-Base interactions energy: -547.173
where: short stacking energy: -230.061
Base-Backbone interact. energy: -0.025
local terms energy: -246.298852
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -52.595
flat angles C4'-P-C4' energy: -61.131
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -41.929
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1467.450338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.450338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.850338 (E_RNA)
where:
Base-Base interactions energy: -905.326
where: short stacking energy: -341.316
Base-Backbone interact. energy: -2.327
local terms energy: -358.197584
where:
bonds (distance) C4'-P energy: -63.502
bonds (distance) P-C4' energy: -73.322
flat angles C4'-P-C4' energy: -81.085
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: -94.249
Dist. restrs. and SS energy: -201.600 (S_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: 137
Temperature: 0.950000
Total energy: -1430.358550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.358550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.358550 (E_RNA)
where:
Base-Base interactions energy: -847.338
where: short stacking energy: -358.117
Base-Backbone interact. energy: 0.551
local terms energy: -376.571559
where:
bonds (distance) C4'-P energy: -60.645
bonds (distance) P-C4' energy: -80.892
flat angles C4'-P-C4' energy: -77.016
flat angles P-C4'-P energy: -53.715
tors. eta vs tors. theta energy: -104.303
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1323.245409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.245409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.445409 (E_RNA)
where:
Base-Base interactions energy: -784.510
where: short stacking energy: -321.981
Base-Backbone interact. energy: 2.371
local terms energy: -341.307208
where:
bonds (distance) C4'-P energy: -70.660
bonds (distance) P-C4' energy: -70.565
flat angles C4'-P-C4' energy: -76.922
flat angles P-C4'-P energy: -44.527
tors. eta vs tors. theta energy: -78.633
Dist. restrs. and SS energy: -199.800 (S_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: 137
Temperature: 1.050000
Total energy: -1340.786202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.786202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.586202 (E_RNA)
where:
Base-Base interactions energy: -759.170
where: short stacking energy: -328.102
Base-Backbone interact. energy: -0.983
local terms energy: -366.433392
where:
bonds (distance) C4'-P energy: -68.439
bonds (distance) P-C4' energy: -71.675
flat angles C4'-P-C4' energy: -76.065
flat angles P-C4'-P energy: -59.350
tors. eta vs tors. theta energy: -90.904
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1236.495024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.495024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.695024 (E_RNA)
where:
Base-Base interactions energy: -705.623
where: short stacking energy: -302.982
Base-Backbone interact. energy: 0.854
local terms energy: -331.925855
where:
bonds (distance) C4'-P energy: -62.032
bonds (distance) P-C4' energy: -71.306
flat angles C4'-P-C4' energy: -69.910
flat angles P-C4'-P energy: -54.508
tors. eta vs tors. theta energy: -74.170
Dist. restrs. and SS energy: -199.800 (S_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: 137
Temperature: 1.150000
Total energy: -1247.628083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.628083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.228083 (E_RNA)
where:
Base-Base interactions energy: -729.909
where: short stacking energy: -301.183
Base-Backbone interact. energy: -1.339
local terms energy: -312.979505
where:
bonds (distance) C4'-P energy: -59.442
bonds (distance) P-C4' energy: -53.048
flat angles C4'-P-C4' energy: -73.960
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -84.739
Dist. restrs. and SS energy: -203.400 (S_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: 137
Temperature: 1.200000
Total energy: -1169.729622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.729622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.129622 (E_RNA)
where:
Base-Base interactions energy: -667.480
where: short stacking energy: -274.797
Base-Backbone interact. energy: -2.705
local terms energy: -306.944935
where:
bonds (distance) C4'-P energy: -54.229
bonds (distance) P-C4' energy: -68.792
flat angles C4'-P-C4' energy: -73.939
flat angles P-C4'-P energy: -39.405
tors. eta vs tors. theta energy: -70.580
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1116.446122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.446122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.646122 (E_RNA)
where:
Base-Base interactions energy: -617.168
where: short stacking energy: -236.548
Base-Backbone interact. energy: 4.174
local terms energy: -303.651745
where:
bonds (distance) C4'-P energy: -59.076
bonds (distance) P-C4' energy: -69.734
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -65.901
Dist. restrs. and SS energy: -199.800 (S_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: 137
Temperature: 1.300000
Total energy: -1040.120026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.120026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.720026 (E_RNA)
where:
Base-Base interactions energy: -594.432
where: short stacking energy: -223.555
Base-Backbone interact. energy: -2.374
local terms energy: -266.914427
where:
bonds (distance) C4'-P energy: -62.429
bonds (distance) P-C4' energy: -61.377
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -47.884
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -938.295739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.295739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.495739 (E_RNA)
where:
Base-Base interactions energy: -547.270
where: short stacking energy: -226.008
Base-Backbone interact. energy: -0.437
local terms energy: -226.788761
where:
bonds (distance) C4'-P energy: -49.082
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -72.460
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -43.531
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1475.011801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.011801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.411801 (E_RNA)
where:
Base-Base interactions energy: -909.269
where: short stacking energy: -354.672
Base-Backbone interact. energy: 1.137
local terms energy: -365.280362
where:
bonds (distance) C4'-P energy: -72.891
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -75.606
flat angles P-C4'-P energy: -62.296
tors. eta vs tors. theta energy: -90.554
Dist. restrs. and SS energy: -201.600 (S_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: 138
Temperature: 0.950000
Total energy: -1460.969768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.969768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.169768 (E_RNA)
where:
Base-Base interactions energy: -855.241
where: short stacking energy: -366.788
Base-Backbone interact. energy: -2.919
local terms energy: -394.010319
where:
bonds (distance) C4'-P energy: -68.306
bonds (distance) P-C4' energy: -76.373
flat angles C4'-P-C4' energy: -81.018
flat angles P-C4'-P energy: -60.512
tors. eta vs tors. theta energy: -107.801
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1355.194708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.194708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.994708 (E_RNA)
where:
Base-Base interactions energy: -825.984
where: short stacking energy: -310.861
Base-Backbone interact. energy: -2.610
local terms energy: -330.400356
where:
bonds (distance) C4'-P energy: -51.677
bonds (distance) P-C4' energy: -80.068
flat angles C4'-P-C4' energy: -69.025
flat angles P-C4'-P energy: -47.567
tors. eta vs tors. theta energy: -82.064
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1328.927650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.927650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.727650 (E_RNA)
where:
Base-Base interactions energy: -758.020
where: short stacking energy: -329.295
Base-Backbone interact. energy: -1.470
local terms energy: -355.237172
where:
bonds (distance) C4'-P energy: -71.279
bonds (distance) P-C4' energy: -71.918
flat angles C4'-P-C4' energy: -78.777
flat angles P-C4'-P energy: -43.671
tors. eta vs tors. theta energy: -89.592
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1268.561082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.561082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.761082 (E_RNA)
where:
Base-Base interactions energy: -713.129
where: short stacking energy: -297.001
Base-Backbone interact. energy: -1.775
local terms energy: -353.856996
where:
bonds (distance) C4'-P energy: -64.528
bonds (distance) P-C4' energy: -74.230
flat angles C4'-P-C4' energy: -72.120
flat angles P-C4'-P energy: -55.735
tors. eta vs tors. theta energy: -87.243
Dist. restrs. and SS energy: -199.800 (S_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: 138
Temperature: 1.150000
Total energy: -1261.052849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.052849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.852849 (E_RNA)
where:
Base-Base interactions energy: -730.457
where: short stacking energy: -298.938
Base-Backbone interact. energy: 3.167
local terms energy: -328.562478
where:
bonds (distance) C4'-P energy: -54.222
bonds (distance) P-C4' energy: -73.899
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -49.763
tors. eta vs tors. theta energy: -80.237
Dist. restrs. and SS energy: -205.200 (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: 138
Temperature: 1.200000
Total energy: -1192.847309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.847309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.647309 (E_RNA)
where:
Base-Base interactions energy: -683.397
where: short stacking energy: -287.254
Base-Backbone interact. energy: 0.290
local terms energy: -313.539854
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -69.682
flat angles C4'-P-C4' energy: -70.759
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -82.561
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1110.569731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.569731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.369731 (E_RNA)
where:
Base-Base interactions energy: -633.517
where: short stacking energy: -260.922
Base-Backbone interact. energy: -0.117
local terms energy: -289.736386
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -58.623
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -41.072
tors. eta vs tors. theta energy: -66.398
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1013.619941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.619941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.419941 (E_RNA)
where:
Base-Base interactions energy: -580.966
where: short stacking energy: -242.654
Base-Backbone interact. energy: 2.275
local terms energy: -256.728731
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -61.394
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -51.582
Dist. restrs. and SS energy: -178.200 (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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -954.233255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.233255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.633255 (E_RNA)
where:
Base-Base interactions energy: -550.074
where: short stacking energy: -228.579
Base-Backbone interact. energy: -0.994
local terms energy: -246.565294
where:
bonds (distance) C4'-P energy: -51.465
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -59.153
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1466.900154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.900154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.100154 (E_RNA)
where:
Base-Base interactions energy: -893.384
where: short stacking energy: -349.848
Base-Backbone interact. energy: -1.978
local terms energy: -371.738652
where:
bonds (distance) C4'-P energy: -70.777
bonds (distance) P-C4' energy: -78.220
flat angles C4'-P-C4' energy: -76.862
flat angles P-C4'-P energy: -56.961
tors. eta vs tors. theta energy: -88.918
Dist. restrs. and SS energy: -199.800 (S_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: 139
Temperature: 0.950000
Total energy: -1433.785079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.785079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.985079 (E_RNA)
where:
Base-Base interactions energy: -859.651
where: short stacking energy: -373.664
Base-Backbone interact. energy: -1.489
local terms energy: -372.845099
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -73.201
flat angles C4'-P-C4' energy: -77.333
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -104.714
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1356.424209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.424209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.824209 (E_RNA)
where:
Base-Base interactions energy: -809.465
where: short stacking energy: -333.511
Base-Backbone interact. energy: 1.348
local terms energy: -346.706953
where:
bonds (distance) C4'-P energy: -61.886
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -80.990
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: -92.154
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1353.783997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.783997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.583997 (E_RNA)
where:
Base-Base interactions energy: -784.949
where: short stacking energy: -321.347
Base-Backbone interact. energy: 1.542
local terms energy: -356.177052
where:
bonds (distance) C4'-P energy: -79.735
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -52.247
tors. eta vs tors. theta energy: -87.628
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1272.300817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.300817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.100817 (E_RNA)
where:
Base-Base interactions energy: -732.095
where: short stacking energy: -322.831
Base-Backbone interact. energy: -0.054
local terms energy: -343.952217
where:
bonds (distance) C4'-P energy: -68.548
bonds (distance) P-C4' energy: -62.363
flat angles C4'-P-C4' energy: -70.448
flat angles P-C4'-P energy: -55.945
tors. eta vs tors. theta energy: -86.648
Dist. restrs. and SS energy: -196.200 (S_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: 139
Temperature: 1.150000
Total energy: -1217.018254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.018254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.218254 (E_RNA)
where:
Base-Base interactions energy: -701.485
where: short stacking energy: -285.304
Base-Backbone interact. energy: 0.460
local terms energy: -316.193802
where:
bonds (distance) C4'-P energy: -62.770
bonds (distance) P-C4' energy: -65.051
flat angles C4'-P-C4' energy: -73.122
flat angles P-C4'-P energy: -52.746
tors. eta vs tors. theta energy: -62.505
Dist. restrs. and SS energy: -199.800 (S_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: 139
Temperature: 1.200000
Total energy: -1178.604736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.604736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.004736 (E_RNA)
where:
Base-Base interactions energy: -672.063
where: short stacking energy: -270.431
Base-Backbone interact. energy: -1.700
local terms energy: -312.241361
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -58.024
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -76.888
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1141.883944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.883944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.883944 (E_RNA)
where:
Base-Base interactions energy: -649.030
where: short stacking energy: -274.143
Base-Backbone interact. energy: -1.363
local terms energy: -293.491325
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -61.830
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -70.450
Dist. restrs. and SS energy: -198.000 (S_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: 139
Temperature: 1.300000
Total energy: -1056.167133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.167133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.367133 (E_RNA)
where:
Base-Base interactions energy: -590.826
where: short stacking energy: -227.556
Base-Backbone interact. energy: -0.782
local terms energy: -273.759219
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -53.440
flat angles P-C4'-P energy: -47.623
tors. eta vs tors. theta energy: -53.102
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -959.855797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.855797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.655797 (E_RNA)
where:
Base-Base interactions energy: -535.858
where: short stacking energy: -205.765
Base-Backbone interact. energy: -1.499
local terms energy: -262.299409
where:
bonds (distance) C4'-P energy: -57.838
bonds (distance) P-C4' energy: -60.847
flat angles C4'-P-C4' energy: -58.017
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: -48.379
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. 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: -1463.207013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.207013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.407013 (E_RNA)
where:
Base-Base interactions energy: -904.100
where: short stacking energy: -346.866
Base-Backbone interact. energy: -3.942
local terms energy: -355.365287
where:
bonds (distance) C4'-P energy: -62.678
bonds (distance) P-C4' energy: -73.732
flat angles C4'-P-C4' energy: -76.100
flat angles P-C4'-P energy: -49.784
tors. eta vs tors. theta energy: -93.071
Dist. restrs. and SS energy: -199.800 (S_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: 140
Temperature: 0.950000
Total energy: -1440.252828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.252828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.452828 (E_RNA)
where:
Base-Base interactions energy: -831.983
where: short stacking energy: -363.083
Base-Backbone interact. energy: -1.270
local terms energy: -407.200670
where:
bonds (distance) C4'-P energy: -75.329
bonds (distance) P-C4' energy: -77.398
flat angles C4'-P-C4' energy: -82.621
flat angles P-C4'-P energy: -59.978
tors. eta vs tors. theta energy: -111.873
Dist. restrs. and SS energy: -199.800 (S_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: 140
Temperature: 1.000000
Total energy: -1332.408123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.408123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.808123 (E_RNA)
where:
Base-Base interactions energy: -765.398
where: short stacking energy: -317.162
Base-Backbone interact. energy: -2.275
local terms energy: -354.135144
where:
bonds (distance) C4'-P energy: -65.707
bonds (distance) P-C4' energy: -68.208
flat angles C4'-P-C4' energy: -82.187
flat angles P-C4'-P energy: -49.248
tors. eta vs tors. theta energy: -88.785
Dist. restrs. and SS energy: -210.600 (S_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: 140
Temperature: 1.050000
Total energy: -1320.189034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.189034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.389034 (E_RNA)
where:
Base-Base interactions energy: -782.852
where: short stacking energy: -322.295
Base-Backbone interact. energy: -1.031
local terms energy: -336.506127
where:
bonds (distance) C4'-P energy: -65.953
bonds (distance) P-C4' energy: -73.206
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -77.662
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1266.871841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.871841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.071841 (E_RNA)
where:
Base-Base interactions energy: -740.344
where: short stacking energy: -314.437
Base-Backbone interact. energy: 2.110
local terms energy: -328.838251
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -61.192
flat angles C4'-P-C4' energy: -73.529
flat angles P-C4'-P energy: -50.433
tors. eta vs tors. theta energy: -84.150
Dist. restrs. and SS energy: -199.800 (S_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: 140
Temperature: 1.150000
Total energy: -1208.730020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.730020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.330020 (E_RNA)
where:
Base-Base interactions energy: -708.435
where: short stacking energy: -299.553
Base-Backbone interact. energy: 0.285
local terms energy: -306.180421
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -64.951
flat angles C4'-P-C4' energy: -71.215
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -75.371
Dist. restrs. and SS energy: -194.400 (S_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: 140
Temperature: 1.200000
Total energy: -1185.003945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.003945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.603945 (E_RNA)
where:
Base-Base interactions energy: -680.404
where: short stacking energy: -278.744
Base-Backbone interact. energy: -2.929
local terms energy: -307.271181
where:
bonds (distance) C4'-P energy: -55.990
bonds (distance) P-C4' energy: -69.532
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -46.693
tors. eta vs tors. theta energy: -68.073
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1132.893848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.893848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.093848 (E_RNA)
where:
Base-Base interactions energy: -671.598
where: short stacking energy: -271.096
Base-Backbone interact. energy: -2.008
local terms energy: -259.488142
where:
bonds (distance) C4'-P energy: -56.941
bonds (distance) P-C4' energy: -62.232
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -69.424
Dist. restrs. and SS energy: -199.800 (S_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: 140
Temperature: 1.300000
Total energy: -1050.325202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.325202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.325202 (E_RNA)
where:
Base-Base interactions energy: -593.179
where: short stacking energy: -233.971
Base-Backbone interact. energy: -2.072
local terms energy: -275.073622
where:
bonds (distance) C4'-P energy: -47.253
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -70.306
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -979.757708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.757708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.957708 (E_RNA)
where:
Base-Base interactions energy: -556.441
where: short stacking energy: -226.694
Base-Backbone interact. energy: -2.387
local terms energy: -257.129660
where:
bonds (distance) C4'-P energy: -56.848
bonds (distance) P-C4' energy: -51.890
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -49.864
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1463.692579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.692579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.092579 (E_RNA)
where:
Base-Base interactions energy: -897.575
where: short stacking energy: -345.091
Base-Backbone interact. energy: 0.202
local terms energy: -364.719050
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -75.980
flat angles C4'-P-C4' energy: -86.145
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -93.943
Dist. restrs. and SS energy: -201.600 (S_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: 141
Temperature: 0.950000
Total energy: -1464.112691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.112691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.312691 (E_RNA)
where:
Base-Base interactions energy: -863.116
where: short stacking energy: -369.414
Base-Backbone interact. energy: -1.112
local terms energy: -391.085500
where:
bonds (distance) C4'-P energy: -71.888
bonds (distance) P-C4' energy: -75.966
flat angles C4'-P-C4' energy: -85.994
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -107.534
Dist. restrs. and SS energy: -208.800 (S_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: 141
Temperature: 1.000000
Total energy: -1384.399346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.399346 (E_RNA)
where:
Base-Base interactions energy: -801.848
where: short stacking energy: -323.668
Base-Backbone interact. energy: -1.773
local terms energy: -364.778557
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -66.050
flat angles C4'-P-C4' energy: -81.384
flat angles P-C4'-P energy: -54.352
tors. eta vs tors. theta energy: -92.686
Dist. restrs. and SS energy: -216.000 (S_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: -1328.863364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.863364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.063364 (E_RNA)
where:
Base-Base interactions energy: -784.085
where: short stacking energy: -333.336
Base-Backbone interact. energy: -1.239
local terms energy: -343.739974
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -69.821
flat angles C4'-P-C4' energy: -71.061
flat angles P-C4'-P energy: -50.364
tors. eta vs tors. theta energy: -84.345
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1253.598047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.598047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.798047 (E_RNA)
where:
Base-Base interactions energy: -707.441
where: short stacking energy: -305.348
Base-Backbone interact. energy: -1.758
local terms energy: -344.598718
where:
bonds (distance) C4'-P energy: -55.458
bonds (distance) P-C4' energy: -73.285
flat angles C4'-P-C4' energy: -80.426
flat angles P-C4'-P energy: -55.141
tors. eta vs tors. theta energy: -80.290
Dist. restrs. and SS energy: -199.800 (S_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: 141
Temperature: 1.150000
Total energy: -1212.172731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.172731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.172731 (E_RNA)
where:
Base-Base interactions energy: -715.925
where: short stacking energy: -284.038
Base-Backbone interact. energy: -0.809
local terms energy: -297.439185
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -64.127
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -79.542
Dist. restrs. and SS energy: -198.000 (S_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: 141
Temperature: 1.200000
Total energy: -1179.220886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.220886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.020886 (E_RNA)
where:
Base-Base interactions energy: -702.732
where: short stacking energy: -296.703
Base-Backbone interact. energy: 0.299
local terms energy: -289.587603
where:
bonds (distance) C4'-P energy: -48.872
bonds (distance) P-C4' energy: -60.293
flat angles C4'-P-C4' energy: -64.201
flat angles P-C4'-P energy: -46.546
tors. eta vs tors. theta energy: -69.676
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1080.149444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.149444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.749444 (E_RNA)
where:
Base-Base interactions energy: -625.258
where: short stacking energy: -257.400
Base-Backbone interact. energy: 2.991
local terms energy: -272.482327
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -65.429
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -30.255
tors. eta vs tors. theta energy: -52.574
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1066.718304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.718304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.918304 (E_RNA)
where:
Base-Base interactions energy: -604.079
where: short stacking energy: -225.373
Base-Backbone interact. energy: 0.645
local terms energy: -263.484575
where:
bonds (distance) C4'-P energy: -64.385
bonds (distance) P-C4' energy: -55.785
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -34.813
tors. eta vs tors. theta energy: -46.331
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -964.947947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.947947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.947947 (E_RNA)
where:
Base-Base interactions energy: -549.049
where: short stacking energy: -228.508
Base-Backbone interact. energy: -0.180
local terms energy: -253.718697
where:
bonds (distance) C4'-P energy: -56.191
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -59.987
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -50.469
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. 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: -1480.206411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.206411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.606411 (E_RNA)
where:
Base-Base interactions energy: -909.942
where: short stacking energy: -359.335
Base-Backbone interact. energy: -0.600
local terms energy: -368.064826
where:
bonds (distance) C4'-P energy: -67.807
bonds (distance) P-C4' energy: -66.744
flat angles C4'-P-C4' energy: -73.141
flat angles P-C4'-P energy: -64.045
tors. eta vs tors. theta energy: -96.328
Dist. restrs. and SS energy: -201.600 (S_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: 142
Temperature: 0.950000
Total energy: -1441.123653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.123653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.723653 (E_RNA)
where:
Base-Base interactions energy: -860.475
where: short stacking energy: -379.095
Base-Backbone interact. energy: -1.586
local terms energy: -375.662429
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -79.347
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: -104.442
Dist. restrs. and SS energy: -203.400 (S_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: 142
Temperature: 1.000000
Total energy: -1370.291574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.291574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.491574 (E_RNA)
where:
Base-Base interactions energy: -812.772
where: short stacking energy: -319.843
Base-Backbone interact. energy: -0.879
local terms energy: -347.840337
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -72.741
flat angles C4'-P-C4' energy: -83.127
flat angles P-C4'-P energy: -41.949
tors. eta vs tors. theta energy: -90.313
Dist. restrs. and SS energy: -208.800 (S_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: -1303.626252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.626252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.426252 (E_RNA)
where:
Base-Base interactions energy: -772.709
where: short stacking energy: -320.153
Base-Backbone interact. energy: 1.070
local terms energy: -335.787063
where:
bonds (distance) C4'-P energy: -74.402
bonds (distance) P-C4' energy: -55.353
flat angles C4'-P-C4' energy: -76.964
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -86.595
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1268.229255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.229255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.429255 (E_RNA)
where:
Base-Base interactions energy: -732.920
where: short stacking energy: -312.840
Base-Backbone interact. energy: -1.088
local terms energy: -334.420953
where:
bonds (distance) C4'-P energy: -65.679
bonds (distance) P-C4' energy: -66.152
flat angles C4'-P-C4' energy: -72.627
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -82.036
Dist. restrs. and SS energy: -199.800 (S_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: 142
Temperature: 1.150000
Total energy: -1206.805578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.805578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.605578 (E_RNA)
where:
Base-Base interactions energy: -680.307
where: short stacking energy: -298.204
Base-Backbone interact. energy: -1.327
local terms energy: -328.971551
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -63.514
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -87.240
Dist. restrs. and SS energy: -196.200 (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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1187.687775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.687775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.287775 (E_RNA)
where:
Base-Base interactions energy: -679.032
where: short stacking energy: -266.061
Base-Backbone interact. energy: 3.174
local terms energy: -317.428979
where:
bonds (distance) C4'-P energy: -69.332
bonds (distance) P-C4' energy: -63.111
flat angles C4'-P-C4' energy: -76.750
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -65.871
Dist. restrs. and SS energy: -194.400 (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: 142
Temperature: 1.250000
Total energy: -1075.501923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.301923 (E_RNA)
where:
Base-Base interactions energy: -615.511
where: short stacking energy: -234.875
Base-Backbone interact. energy: -3.674
local terms energy: -269.117845
where:
bonds (distance) C4'-P energy: -54.336
bonds (distance) P-C4' energy: -64.378
flat angles C4'-P-C4' energy: -62.326
flat angles P-C4'-P energy: -37.676
tors. eta vs tors. theta energy: -50.402
Dist. restrs. and SS energy: -187.200 (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: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1080.969376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.969376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.369376 (E_RNA)
where:
Base-Base interactions energy: -607.643
where: short stacking energy: -235.517
Base-Backbone interact. energy: -0.972
local terms energy: -279.753875
where:
bonds (distance) C4'-P energy: -67.715
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -54.710
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -56.350
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -978.782666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.782666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.982666 (E_RNA)
where:
Base-Base interactions energy: -566.991
where: short stacking energy: -231.629
Base-Backbone interact. energy: -1.178
local terms energy: -255.813864
where:
bonds (distance) C4'-P energy: -59.689
bonds (distance) P-C4' energy: -52.883
flat angles C4'-P-C4' energy: -63.495
flat angles P-C4'-P energy: -27.190
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. 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: -1453.085177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.085177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.085177 (E_RNA)
where:
Base-Base interactions energy: -892.359
where: short stacking energy: -334.633
Base-Backbone interact. energy: -2.783
local terms energy: -359.942606
where:
bonds (distance) C4'-P energy: -72.597
bonds (distance) P-C4' energy: -74.200
flat angles C4'-P-C4' energy: -78.773
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -93.438
Dist. restrs. and SS energy: -198.000 (S_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: 143
Temperature: 0.950000
Total energy: -1435.144535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.144535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.344535 (E_RNA)
where:
Base-Base interactions energy: -839.707
where: short stacking energy: -371.411
Base-Backbone interact. energy: -2.695
local terms energy: -392.943110
where:
bonds (distance) C4'-P energy: -69.911
bonds (distance) P-C4' energy: -81.118
flat angles C4'-P-C4' energy: -83.462
flat angles P-C4'-P energy: -53.944
tors. eta vs tors. theta energy: -104.508
Dist. restrs. and SS energy: -199.800 (S_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: 143
Temperature: 1.000000
Total energy: -1385.238154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.238154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.438154 (E_RNA)
where:
Base-Base interactions energy: -817.600
where: short stacking energy: -333.192
Base-Backbone interact. energy: -2.931
local terms energy: -355.907985
where:
bonds (distance) C4'-P energy: -65.131
bonds (distance) P-C4' energy: -72.894
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -52.733
tors. eta vs tors. theta energy: -88.937
Dist. restrs. and SS energy: -208.800 (S_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: 143
Temperature: 1.050000
Total energy: -1331.652828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.652828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.452828 (E_RNA)
where:
Base-Base interactions energy: -792.042
where: short stacking energy: -337.302
Base-Backbone interact. energy: -2.026
local terms energy: -341.385186
where:
bonds (distance) C4'-P energy: -71.684
bonds (distance) P-C4' energy: -74.343
flat angles C4'-P-C4' energy: -58.129
flat angles P-C4'-P energy: -45.632
tors. eta vs tors. theta energy: -91.596
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1292.239844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.239844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.239844 (E_RNA)
where:
Base-Base interactions energy: -763.108
where: short stacking energy: -307.342
Base-Backbone interact. energy: -0.885
local terms energy: -330.246605
where:
bonds (distance) C4'-P energy: -64.616
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -53.630
tors. eta vs tors. theta energy: -81.351
Dist. restrs. and SS energy: -198.000 (S_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: 143
Temperature: 1.150000
Total energy: -1192.505698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.505698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.505698 (E_RNA)
where:
Base-Base interactions energy: -697.799
where: short stacking energy: -268.445
Base-Backbone interact. energy: -1.097
local terms energy: -304.609953
where:
bonds (distance) C4'-P energy: -60.217
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -68.930
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -73.402
Dist. restrs. and SS energy: -189.000 (S_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: 143
Temperature: 1.200000
Total energy: -1189.784057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.784057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.984057 (E_RNA)
where:
Base-Base interactions energy: -683.396
where: short stacking energy: -272.900
Base-Backbone interact. energy: -1.765
local terms energy: -304.823526
where:
bonds (distance) C4'-P energy: -58.683
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -73.883
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -66.987
Dist. restrs. and SS energy: -199.800 (S_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: 143
Temperature: 1.250000
Total energy: -1089.908385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.908385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.908385 (E_RNA)
where:
Base-Base interactions energy: -635.826
where: short stacking energy: -246.437
Base-Backbone interact. energy: 3.957
local terms energy: -269.039784
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -52.691
flat angles C4'-P-C4' energy: -67.384
flat angles P-C4'-P energy: -50.764
tors. eta vs tors. theta energy: -51.844
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1073.498475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.498475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.298475 (E_RNA)
where:
Base-Base interactions energy: -617.344
where: short stacking energy: -235.107
Base-Backbone interact. energy: 1.057
local terms energy: -261.011608
where:
bonds (distance) C4'-P energy: -62.434
bonds (distance) P-C4' energy: -52.728
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -58.740
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -972.366139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.366139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.766139 (E_RNA)
where:
Base-Base interactions energy: -532.843
where: short stacking energy: -211.749
Base-Backbone interact. energy: 0.139
local terms energy: -283.062489
where:
bonds (distance) C4'-P energy: -77.426
bonds (distance) P-C4' energy: -59.742
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: -43.756
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1465.611828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.611828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.811828 (E_RNA)
where:
Base-Base interactions energy: -888.599
where: short stacking energy: -343.982
Base-Backbone interact. energy: -2.676
local terms energy: -374.536153
where:
bonds (distance) C4'-P energy: -72.334
bonds (distance) P-C4' energy: -70.314
flat angles C4'-P-C4' energy: -83.300
flat angles P-C4'-P energy: -59.687
tors. eta vs tors. theta energy: -88.901
Dist. restrs. and SS energy: -199.800 (S_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: 144
Temperature: 0.950000
Total energy: -1434.856546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.856546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.856546 (E_RNA)
where:
Base-Base interactions energy: -841.990
where: short stacking energy: -365.446
Base-Backbone interact. energy: -1.480
local terms energy: -384.385833
where:
bonds (distance) C4'-P energy: -67.447
bonds (distance) P-C4' energy: -73.932
flat angles C4'-P-C4' energy: -79.257
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: -105.719
Dist. restrs. and SS energy: -207.000 (S_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: 144
Temperature: 1.000000
Total energy: -1401.554881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.554881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.354881 (E_RNA)
where:
Base-Base interactions energy: -820.417
where: short stacking energy: -326.829
Base-Backbone interact. energy: 0.663
local terms energy: -367.601476
where:
bonds (distance) C4'-P energy: -71.062
bonds (distance) P-C4' energy: -72.823
flat angles C4'-P-C4' energy: -74.135
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -88.805
Dist. restrs. and SS energy: -214.200 (S_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: 144
Temperature: 1.050000
Total energy: -1305.190705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.190705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.990705 (E_RNA)
where:
Base-Base interactions energy: -763.142
where: short stacking energy: -324.807
Base-Backbone interact. energy: 0.344
local terms energy: -346.192859
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -81.268
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -90.924
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1250.967629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.967629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.967629 (E_RNA)
where:
Base-Base interactions energy: -732.299
where: short stacking energy: -301.865
Base-Backbone interact. energy: 0.820
local terms energy: -321.488041
where:
bonds (distance) C4'-P energy: -58.078
bonds (distance) P-C4' energy: -64.109
flat angles C4'-P-C4' energy: -78.462
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -76.921
Dist. restrs. and SS energy: -198.000 (S_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: 144
Temperature: 1.150000
Total energy: -1192.359445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.359445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.359445 (E_RNA)
where:
Base-Base interactions energy: -691.304
where: short stacking energy: -290.185
Base-Backbone interact. energy: -3.751
local terms energy: -299.304293
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -70.630
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -75.389
Dist. restrs. and SS energy: -198.000 (S_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: 144
Temperature: 1.200000
Total energy: -1180.183560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.183560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.783560 (E_RNA)
where:
Base-Base interactions energy: -703.910
where: short stacking energy: -294.160
Base-Backbone interact. energy: 0.051
local terms energy: -281.924850
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -69.625
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -65.509
Dist. restrs. and SS energy: -194.400 (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: 144
Temperature: 1.250000
Total energy: -1106.576244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.576244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.376244 (E_RNA)
where:
Base-Base interactions energy: -622.333
where: short stacking energy: -260.565
Base-Backbone interact. energy: 4.008
local terms energy: -301.051237
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -69.861
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -65.960
Dist. restrs. and SS energy: -187.200 (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: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1065.865809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.865809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.665809 (E_RNA)
where:
Base-Base interactions energy: -602.158
where: short stacking energy: -257.292
Base-Backbone interact. energy: 2.375
local terms energy: -260.882149
where:
bonds (distance) C4'-P energy: -51.124
bonds (distance) P-C4' energy: -56.279
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -58.106
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -949.028870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.028870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.828870 (E_RNA)
where:
Base-Base interactions energy: -554.026
where: short stacking energy: -230.813
Base-Backbone interact. energy: 10.004
local terms energy: -253.806272
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -62.402
flat angles C4'-P-C4' energy: -67.094
flat angles P-C4'-P energy: -29.872
tors. eta vs tors. theta energy: -51.134
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1466.637791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.637791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.437791 (E_RNA)
where:
Base-Base interactions energy: -895.819
where: short stacking energy: -357.281
Base-Backbone interact. energy: -4.708
local terms energy: -369.909943
where:
bonds (distance) C4'-P energy: -69.928
bonds (distance) P-C4' energy: -67.986
flat angles C4'-P-C4' energy: -81.285
flat angles P-C4'-P energy: -54.599
tors. eta vs tors. theta energy: -96.111
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1421.050642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.050642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.050642 (E_RNA)
where:
Base-Base interactions energy: -835.935
where: short stacking energy: -357.838
Base-Backbone interact. energy: 1.187
local terms energy: -379.302884
where:
bonds (distance) C4'-P energy: -70.307
bonds (distance) P-C4' energy: -69.954
flat angles C4'-P-C4' energy: -80.808
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -95.446
Dist. restrs. and SS energy: -207.000 (S_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: 145
Temperature: 1.000000
Total energy: -1400.917628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.917628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.517628 (E_RNA)
where:
Base-Base interactions energy: -816.796
where: short stacking energy: -350.814
Base-Backbone interact. energy: 0.410
local terms energy: -372.132285
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -71.767
flat angles C4'-P-C4' energy: -76.383
flat angles P-C4'-P energy: -57.899
tors. eta vs tors. theta energy: -103.869
Dist. restrs. and SS energy: -212.400 (S_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: 145
Temperature: 1.050000
Total energy: -1311.922727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.322727 (E_RNA)
where:
Base-Base interactions energy: -763.496
where: short stacking energy: -325.716
Base-Backbone interact. energy: -1.881
local terms energy: -344.946511
where:
bonds (distance) C4'-P energy: -64.445
bonds (distance) P-C4' energy: -65.017
flat angles C4'-P-C4' energy: -73.641
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -90.119
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1240.473023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.473023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.673023 (E_RNA)
where:
Base-Base interactions energy: -725.086
where: short stacking energy: -302.422
Base-Backbone interact. energy: -2.754
local terms energy: -312.833564
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -63.713
flat angles C4'-P-C4' energy: -78.988
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -71.115
Dist. restrs. and SS energy: -199.800 (S_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: 145
Temperature: 1.150000
Total energy: -1208.411596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.811596 (E_RNA)
where:
Base-Base interactions energy: -700.233
where: short stacking energy: -290.530
Base-Backbone interact. energy: -0.240
local terms energy: -315.337996
where:
bonds (distance) C4'-P energy: -62.474
bonds (distance) P-C4' energy: -62.270
flat angles C4'-P-C4' energy: -75.212
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -72.143
Dist. restrs. and SS energy: -192.600 (S_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: 145
Temperature: 1.200000
Total energy: -1187.982726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.982726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.382726 (E_RNA)
where:
Base-Base interactions energy: -678.522
where: short stacking energy: -288.067
Base-Backbone interact. energy: 2.251
local terms energy: -310.112279
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -70.238
flat angles C4'-P-C4' energy: -65.370
flat angles P-C4'-P energy: -46.160
tors. eta vs tors. theta energy: -76.313
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1099.893671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.893671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.893671 (E_RNA)
where:
Base-Base interactions energy: -629.982
where: short stacking energy: -245.019
Base-Backbone interact. energy: -0.733
local terms energy: -271.178354
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -65.465
flat angles C4'-P-C4' energy: -73.503
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: -198.000 (S_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: 145
Temperature: 1.300000
Total energy: -1050.352667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.352667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.352667 (E_RNA)
where:
Base-Base interactions energy: -577.159
where: short stacking energy: -239.144
Base-Backbone interact. energy: 0.019
local terms energy: -293.212983
where:
bonds (distance) C4'-P energy: -70.695
bonds (distance) P-C4' energy: -61.003
flat angles C4'-P-C4' energy: -63.579
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -59.663
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -945.268665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.268665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.668665 (E_RNA)
where:
Base-Base interactions energy: -531.262
where: short stacking energy: -208.513
Base-Backbone interact. energy: -3.262
local terms energy: -245.144496
where:
bonds (distance) C4'-P energy: -60.581
bonds (distance) P-C4' energy: -56.819
flat angles C4'-P-C4' energy: -56.251
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -30.901
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1475.090467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.090467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.090467 (E_RNA)
where:
Base-Base interactions energy: -894.190
where: short stacking energy: -350.445
Base-Backbone interact. energy: -1.016
local terms energy: -381.884842
where:
bonds (distance) C4'-P energy: -77.482
bonds (distance) P-C4' energy: -75.285
flat angles C4'-P-C4' energy: -82.922
flat angles P-C4'-P energy: -57.221
tors. eta vs tors. theta energy: -88.975
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1431.246785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.246785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.046785 (E_RNA)
where:
Base-Base interactions energy: -848.785
where: short stacking energy: -352.255
Base-Backbone interact. energy: -0.003
local terms energy: -377.258771
where:
bonds (distance) C4'-P energy: -68.101
bonds (distance) P-C4' energy: -78.051
flat angles C4'-P-C4' energy: -75.962
flat angles P-C4'-P energy: -49.995
tors. eta vs tors. theta energy: -105.151
Dist. restrs. and SS energy: -205.200 (S_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: 146
Temperature: 1.000000
Total energy: -1396.960162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.960162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.560162 (E_RNA)
where:
Base-Base interactions energy: -802.997
where: short stacking energy: -318.299
Base-Backbone interact. energy: -0.774
local terms energy: -380.788985
where:
bonds (distance) C4'-P energy: -74.482
bonds (distance) P-C4' energy: -80.804
flat angles C4'-P-C4' energy: -76.705
flat angles P-C4'-P energy: -64.672
tors. eta vs tors. theta energy: -84.126
Dist. restrs. and SS energy: -212.400 (S_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: 146
Temperature: 1.050000
Total energy: -1313.257920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.257920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.857920 (E_RNA)
where:
Base-Base interactions energy: -782.042
where: short stacking energy: -318.666
Base-Backbone interact. energy: -1.840
local terms energy: -325.976347
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -76.793
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1276.102969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.102969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.702969 (E_RNA)
where:
Base-Base interactions energy: -729.898
where: short stacking energy: -315.880
Base-Backbone interact. energy: 0.604
local terms energy: -343.409003
where:
bonds (distance) C4'-P energy: -60.572
bonds (distance) P-C4' energy: -75.840
flat angles C4'-P-C4' energy: -77.092
flat angles P-C4'-P energy: -51.707
tors. eta vs tors. theta energy: -78.197
Dist. restrs. and SS energy: -203.400 (S_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: 146
Temperature: 1.150000
Total energy: -1225.050715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.050715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.050715 (E_RNA)
where:
Base-Base interactions energy: -715.689
where: short stacking energy: -306.283
Base-Backbone interact. energy: -1.295
local terms energy: -319.066074
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -69.761
flat angles C4'-P-C4' energy: -68.820
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: -79.202
Dist. restrs. and SS energy: -189.000 (S_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: 146
Temperature: 1.200000
Total energy: -1187.221108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.221108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.221108 (E_RNA)
where:
Base-Base interactions energy: -668.621
where: short stacking energy: -275.488
Base-Backbone interact. energy: -0.616
local terms energy: -319.984309
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -64.846
flat angles C4'-P-C4' energy: -80.828
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -72.333
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1110.829065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.029065 (E_RNA)
where:
Base-Base interactions energy: -636.371
where: short stacking energy: -261.933
Base-Backbone interact. energy: 0.052
local terms energy: -283.710389
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -61.639
flat angles C4'-P-C4' energy: -64.967
flat angles P-C4'-P energy: -47.145
tors. eta vs tors. theta energy: -62.828
Dist. restrs. and SS energy: -190.800 (S_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: 146
Temperature: 1.300000
Total energy: -1079.455150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.455150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.455150 (E_RNA)
where:
Base-Base interactions energy: -628.365
where: short stacking energy: -259.617
Base-Backbone interact. energy: -1.772
local terms energy: -269.317598
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -46.417
tors. eta vs tors. theta energy: -62.430
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -998.010996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.010996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.610996 (E_RNA)
where:
Base-Base interactions energy: -598.583
where: short stacking energy: -239.217
Base-Backbone interact. energy: 0.883
local terms energy: -241.911273
where:
bonds (distance) C4'-P energy: -56.594
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -56.152
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -44.568
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1479.831864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.831864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.831864 (E_RNA)
where:
Base-Base interactions energy: -902.530
where: short stacking energy: -351.662
Base-Backbone interact. energy: -2.809
local terms energy: -376.493146
where:
bonds (distance) C4'-P energy: -72.412
bonds (distance) P-C4' energy: -77.000
flat angles C4'-P-C4' energy: -82.498
flat angles P-C4'-P energy: -56.940
tors. eta vs tors. theta energy: -87.644
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1412.863085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.863085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.463085 (E_RNA)
where:
Base-Base interactions energy: -839.908
where: short stacking energy: -347.311
Base-Backbone interact. energy: -2.548
local terms energy: -367.007373
where:
bonds (distance) C4'-P energy: -68.796
bonds (distance) P-C4' energy: -72.174
flat angles C4'-P-C4' energy: -84.394
flat angles P-C4'-P energy: -50.618
tors. eta vs tors. theta energy: -91.025
Dist. restrs. and SS energy: -203.400 (S_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: 147
Temperature: 1.000000
Total energy: -1400.954122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.954122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.754122 (E_RNA)
where:
Base-Base interactions energy: -823.933
where: short stacking energy: -327.952
Base-Backbone interact. energy: -0.986
local terms energy: -361.835024
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -62.382
flat angles C4'-P-C4' energy: -86.830
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -94.243
Dist. restrs. and SS energy: -214.200 (S_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: 147
Temperature: 1.050000
Total energy: -1310.268158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.268158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.268158 (E_RNA)
where:
Base-Base interactions energy: -760.662
where: short stacking energy: -307.462
Base-Backbone interact. energy: -2.029
local terms energy: -349.577855
where:
bonds (distance) C4'-P energy: -65.887
bonds (distance) P-C4' energy: -68.997
flat angles C4'-P-C4' energy: -79.986
flat angles P-C4'-P energy: -54.279
tors. eta vs tors. theta energy: -80.429
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1257.619459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.619459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.219459 (E_RNA)
where:
Base-Base interactions energy: -730.499
where: short stacking energy: -282.829
Base-Backbone interact. energy: -2.150
local terms energy: -321.569743
where:
bonds (distance) C4'-P energy: -57.120
bonds (distance) P-C4' energy: -70.757
flat angles C4'-P-C4' energy: -74.331
flat angles P-C4'-P energy: -51.129
tors. eta vs tors. theta energy: -68.232
Dist. restrs. and SS energy: -203.400 (S_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: 147
Temperature: 1.150000
Total energy: -1177.266163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.266163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.266163 (E_RNA)
where:
Base-Base interactions energy: -659.903
where: short stacking energy: -267.003
Base-Backbone interact. energy: -0.319
local terms energy: -328.043373
where:
bonds (distance) C4'-P energy: -64.301
bonds (distance) P-C4' energy: -73.975
flat angles C4'-P-C4' energy: -76.467
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -76.065
Dist. restrs. and SS energy: -189.000 (S_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: 147
Temperature: 1.200000
Total energy: -1200.300583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.300583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.300583 (E_RNA)
where:
Base-Base interactions energy: -696.932
where: short stacking energy: -297.056
Base-Backbone interact. energy: -2.011
local terms energy: -303.357249
where:
bonds (distance) C4'-P energy: -46.648
bonds (distance) P-C4' energy: -68.001
flat angles C4'-P-C4' energy: -66.216
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -78.718
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1114.399480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.399480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.999480 (E_RNA)
where:
Base-Base interactions energy: -627.439
where: short stacking energy: -270.672
Base-Backbone interact. energy: -1.286
local terms energy: -291.274752
where:
bonds (distance) C4'-P energy: -62.734
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -64.313
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -63.783
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1086.269653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.269653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.069653 (E_RNA)
where:
Base-Base interactions energy: -627.744
where: short stacking energy: -243.915
Base-Backbone interact. energy: 2.904
local terms energy: -274.229808
where:
bonds (distance) C4'-P energy: -65.947
bonds (distance) P-C4' energy: -54.772
flat angles C4'-P-C4' energy: -58.477
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -56.692
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -994.722883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.722883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.322883 (E_RNA)
where:
Base-Base interactions energy: -581.651
where: short stacking energy: -251.705
Base-Backbone interact. energy: -1.463
local terms energy: -253.209532
where:
bonds (distance) C4'-P energy: -51.910
bonds (distance) P-C4' energy: -52.870
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -31.080
tors. eta vs tors. theta energy: -51.180
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. 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: -1465.831161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.831161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.231161 (E_RNA)
where:
Base-Base interactions energy: -896.740
where: short stacking energy: -343.668
Base-Backbone interact. energy: -3.481
local terms energy: -373.009868
where:
bonds (distance) C4'-P energy: -75.061
bonds (distance) P-C4' energy: -70.676
flat angles C4'-P-C4' energy: -82.008
flat angles P-C4'-P energy: -55.775
tors. eta vs tors. theta energy: -89.490
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1426.565376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.565376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.365376 (E_RNA)
where:
Base-Base interactions energy: -840.916
where: short stacking energy: -368.225
Base-Backbone interact. energy: -2.698
local terms energy: -377.750977
where:
bonds (distance) C4'-P energy: -68.887
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -88.411
flat angles P-C4'-P energy: -55.662
tors. eta vs tors. theta energy: -95.689
Dist. restrs. and SS energy: -205.200 (S_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: 148
Temperature: 1.000000
Total energy: -1395.421574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.421574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.821574 (E_RNA)
where:
Base-Base interactions energy: -817.576
where: short stacking energy: -332.839
Base-Backbone interact. energy: -1.582
local terms energy: -365.663547
where:
bonds (distance) C4'-P energy: -69.458
bonds (distance) P-C4' energy: -77.971
flat angles C4'-P-C4' energy: -78.781
flat angles P-C4'-P energy: -58.796
tors. eta vs tors. theta energy: -80.657
Dist. restrs. and SS energy: -210.600 (S_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: 148
Temperature: 1.050000
Total energy: -1277.828012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.828012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.428012 (E_RNA)
where:
Base-Base interactions energy: -750.588
where: short stacking energy: -312.632
Base-Backbone interact. energy: -1.281
local terms energy: -331.559557
where:
bonds (distance) C4'-P energy: -75.013
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -76.498
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -74.564
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1260.609069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.609069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.609069 (E_RNA)
where:
Base-Base interactions energy: -737.682
where: short stacking energy: -295.550
Base-Backbone interact. energy: -2.637
local terms energy: -322.290189
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -59.869
flat angles C4'-P-C4' energy: -80.467
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -69.696
Dist. restrs. and SS energy: -198.000 (S_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: 148
Temperature: 1.150000
Total energy: -1160.414073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.414073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.614073 (E_RNA)
where:
Base-Base interactions energy: -666.125
where: short stacking energy: -275.477
Base-Backbone interact. energy: 3.945
local terms energy: -307.434055
where:
bonds (distance) C4'-P energy: -61.603
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -70.092
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -62.633
Dist. restrs. and SS energy: -190.800 (S_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: 148
Temperature: 1.200000
Total energy: -1174.285876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.285876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.085876 (E_RNA)
where:
Base-Base interactions energy: -683.297
where: short stacking energy: -269.807
Base-Backbone interact. energy: -1.548
local terms energy: -293.241391
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -56.016
flat angles C4'-P-C4' energy: -70.677
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -61.927
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1113.432744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.432744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.832744 (E_RNA)
where:
Base-Base interactions energy: -632.643
where: short stacking energy: -257.118
Base-Backbone interact. energy: -2.202
local terms energy: -285.987334
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -62.158
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -70.614
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1092.030995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.030995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.430995 (E_RNA)
where:
Base-Base interactions energy: -632.600
where: short stacking energy: -250.261
Base-Backbone interact. energy: 0.299
local terms energy: -267.130058
where:
bonds (distance) C4'-P energy: -62.604
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -59.845
flat angles P-C4'-P energy: -28.588
tors. eta vs tors. theta energy: -56.048
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -964.744261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.744261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.144261 (E_RNA)
where:
Base-Base interactions energy: -533.673
where: short stacking energy: -206.538
Base-Backbone interact. energy: 0.190
local terms energy: -265.661789
where:
bonds (distance) C4'-P energy: -54.686
bonds (distance) P-C4' energy: -71.310
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -40.295
tors. eta vs tors. theta energy: -35.638
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. 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: -1468.197039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.197039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.197039 (E_RNA)
where:
Base-Base interactions energy: -921.957
where: short stacking energy: -356.825
Base-Backbone interact. energy: -4.550
local terms energy: -343.690092
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -61.558
flat angles C4'-P-C4' energy: -74.525
flat angles P-C4'-P energy: -42.965
tors. eta vs tors. theta energy: -96.038
Dist. restrs. and SS energy: -198.000 (S_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: 149
Temperature: 0.950000
Total energy: -1407.514545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.514545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.114545 (E_RNA)
where:
Base-Base interactions energy: -831.447
where: short stacking energy: -334.231
Base-Backbone interact. energy: -1.320
local terms energy: -362.347258
where:
bonds (distance) C4'-P energy: -67.363
bonds (distance) P-C4' energy: -76.663
flat angles C4'-P-C4' energy: -73.518
flat angles P-C4'-P energy: -51.785
tors. eta vs tors. theta energy: -93.017
Dist. restrs. and SS energy: -212.400 (S_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: 149
Temperature: 1.000000
Total energy: -1398.988357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.988357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.988357 (E_RNA)
where:
Base-Base interactions energy: -819.049
where: short stacking energy: -354.252
Base-Backbone interact. energy: -0.822
local terms energy: -372.116859
where:
bonds (distance) C4'-P energy: -62.758
bonds (distance) P-C4' energy: -65.930
flat angles C4'-P-C4' energy: -85.566
flat angles P-C4'-P energy: -54.857
tors. eta vs tors. theta energy: -103.006
Dist. restrs. and SS energy: -207.000 (S_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: -1300.336820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.336820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.336820 (E_RNA)
where:
Base-Base interactions energy: -770.864
where: short stacking energy: -317.923
Base-Backbone interact. energy: -4.366
local terms energy: -327.106777
where:
bonds (distance) C4'-P energy: -64.903
bonds (distance) P-C4' energy: -75.976
flat angles C4'-P-C4' energy: -74.846
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -74.789
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1282.036025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.036025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.036025 (E_RNA)
where:
Base-Base interactions energy: -769.118
where: short stacking energy: -308.084
Base-Backbone interact. energy: -3.205
local terms energy: -311.712805
where:
bonds (distance) C4'-P energy: -60.047
bonds (distance) P-C4' energy: -62.594
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -40.955
tors. eta vs tors. theta energy: -75.831
Dist. restrs. and SS energy: -198.000 (S_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: 149
Temperature: 1.150000
Total energy: -1197.910283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.910283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.310283 (E_RNA)
where:
Base-Base interactions energy: -676.935
where: short stacking energy: -265.449
Base-Backbone interact. energy: -3.229
local terms energy: -325.146713
where:
bonds (distance) C4'-P energy: -68.532
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -78.177
flat angles P-C4'-P energy: -48.408
tors. eta vs tors. theta energy: -67.386
Dist. restrs. and SS energy: -192.600 (S_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: 149
Temperature: 1.200000
Total energy: -1154.035883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.035883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.035883 (E_RNA)
where:
Base-Base interactions energy: -674.161
where: short stacking energy: -276.287
Base-Backbone interact. energy: -0.997
local terms energy: -289.878000
where:
bonds (distance) C4'-P energy: -64.413
bonds (distance) P-C4' energy: -50.064
flat angles C4'-P-C4' energy: -68.226
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -66.607
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1110.549125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.549125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.549125 (E_RNA)
where:
Base-Base interactions energy: -634.880
where: short stacking energy: -231.285
Base-Backbone interact. energy: 0.587
local terms energy: -278.255651
where:
bonds (distance) C4'-P energy: -71.930
bonds (distance) P-C4' energy: -54.471
flat angles C4'-P-C4' energy: -62.909
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -51.590
Dist. restrs. and SS energy: -198.000 (S_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: 149
Temperature: 1.300000
Total energy: -1065.738114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.738114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.738114 (E_RNA)
where:
Base-Base interactions energy: -605.461
where: short stacking energy: -242.379
Base-Backbone interact. energy: -0.802
local terms energy: -261.474462
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -57.394
flat angles C4'-P-C4' energy: -66.967
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -58.329
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -959.078029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.078029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.678029 (E_RNA)
where:
Base-Base interactions energy: -542.097
where: short stacking energy: -217.862
Base-Backbone interact. energy: 4.408
local terms energy: -262.988952
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -51.521
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. 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: -1467.746117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.746117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.146117 (E_RNA)
where:
Base-Base interactions energy: -895.361
where: short stacking energy: -343.540
Base-Backbone interact. energy: -3.237
local terms energy: -367.548141
where:
bonds (distance) C4'-P energy: -77.938
bonds (distance) P-C4' energy: -70.956
flat angles C4'-P-C4' energy: -76.353
flat angles P-C4'-P energy: -50.789
tors. eta vs tors. theta energy: -91.512
Dist. restrs. and SS energy: -201.600 (S_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: 150
Temperature: 0.950000
Total energy: -1418.269100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.269100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.069100 (E_RNA)
where:
Base-Base interactions energy: -820.253
where: short stacking energy: -342.673
Base-Backbone interact. energy: -1.124
local terms energy: -382.692304
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -72.086
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -60.841
tors. eta vs tors. theta energy: -97.318
Dist. restrs. and SS energy: -214.200 (S_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: 150
Temperature: 1.000000
Total energy: -1394.822620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.822620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.622620 (E_RNA)
where:
Base-Base interactions energy: -805.779
where: short stacking energy: -349.046
Base-Backbone interact. energy: 0.188
local terms energy: -384.030971
where:
bonds (distance) C4'-P energy: -67.105
bonds (distance) P-C4' energy: -72.713
flat angles C4'-P-C4' energy: -81.484
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: -105.691
Dist. restrs. and SS energy: -205.200 (S_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: -1332.772222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.772222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.172222 (E_RNA)
where:
Base-Base interactions energy: -777.101
where: short stacking energy: -331.814
Base-Backbone interact. energy: -0.405
local terms energy: -353.666339
where:
bonds (distance) C4'-P energy: -61.913
bonds (distance) P-C4' energy: -74.485
flat angles C4'-P-C4' energy: -75.703
flat angles P-C4'-P energy: -50.123
tors. eta vs tors. theta energy: -91.443
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1259.892307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.892307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.892307 (E_RNA)
where:
Base-Base interactions energy: -735.169
where: short stacking energy: -300.624
Base-Backbone interact. energy: 2.060
local terms energy: -328.782541
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -64.519
flat angles C4'-P-C4' energy: -75.139
flat angles P-C4'-P energy: -58.658
tors. eta vs tors. theta energy: -73.653
Dist. restrs. and SS energy: -198.000 (S_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: 150
Temperature: 1.150000
Total energy: -1254.411589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.411589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.211589 (E_RNA)
where:
Base-Base interactions energy: -717.671
where: short stacking energy: -316.105
Base-Backbone interact. energy: -2.042
local terms energy: -338.498346
where:
bonds (distance) C4'-P energy: -65.537
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -77.374
flat angles P-C4'-P energy: -57.259
tors. eta vs tors. theta energy: -80.831
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1193.917288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.917288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.317288 (E_RNA)
where:
Base-Base interactions energy: -676.329
where: short stacking energy: -280.590
Base-Backbone interact. energy: 1.346
local terms energy: -326.334014
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -72.875
flat angles C4'-P-C4' energy: -67.674
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -66.686
Dist. restrs. and SS energy: -192.600 (S_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: 150
Temperature: 1.250000
Total energy: -1109.111469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.111469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.511469 (E_RNA)
where:
Base-Base interactions energy: -604.374
where: short stacking energy: -278.121
Base-Backbone interact. energy: -1.709
local terms energy: -310.427846
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -53.505
flat angles C4'-P-C4' energy: -73.324
flat angles P-C4'-P energy: -39.518
tors. eta vs tors. theta energy: -72.127
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -984.916447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.916447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.716447 (E_RNA)
where:
Base-Base interactions energy: -550.571
where: short stacking energy: -225.133
Base-Backbone interact. energy: -2.788
local terms energy: -271.357759
where:
bonds (distance) C4'-P energy: -50.965
bonds (distance) P-C4' energy: -55.907
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -57.316
tors. eta vs tors. theta energy: -48.895
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1041.137000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.137000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.737000 (E_RNA)
where:
Base-Base interactions energy: -586.082
where: short stacking energy: -234.016
Base-Backbone interact. energy: -1.595
local terms energy: -277.060151
where:
bonds (distance) C4'-P energy: -48.130
bonds (distance) P-C4' energy: -58.769
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: -60.015
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. 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: -1465.679095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.679095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.079095 (E_RNA)
where:
Base-Base interactions energy: -880.317
where: short stacking energy: -339.485
Base-Backbone interact. energy: -3.479
local terms energy: -380.282776
where:
bonds (distance) C4'-P energy: -82.607
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -82.883
flat angles P-C4'-P energy: -60.559
tors. eta vs tors. theta energy: -85.317
Dist. restrs. and SS energy: -201.600 (S_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: 151
Temperature: 0.950000
Total energy: -1379.341142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.341142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.341142 (E_RNA)
where:
Base-Base interactions energy: -803.716
where: short stacking energy: -343.333
Base-Backbone interact. energy: 0.192
local terms energy: -359.817310
where:
bonds (distance) C4'-P energy: -59.786
bonds (distance) P-C4' energy: -68.355
flat angles C4'-P-C4' energy: -78.752
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: -94.135
Dist. restrs. and SS energy: -216.000 (S_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: 151
Temperature: 1.000000
Total energy: -1398.588925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.588925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.588925 (E_RNA)
where:
Base-Base interactions energy: -821.933
where: short stacking energy: -344.039
Base-Backbone interact. energy: 0.928
local terms energy: -370.584040
where:
bonds (distance) C4'-P energy: -65.728
bonds (distance) P-C4' energy: -70.371
flat angles C4'-P-C4' energy: -82.287
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -95.263
Dist. restrs. and SS energy: -207.000 (S_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: 151
Temperature: 1.050000
Total energy: -1308.972862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.972862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.372862 (E_RNA)
where:
Base-Base interactions energy: -767.686
where: short stacking energy: -324.989
Base-Backbone interact. energy: -2.404
local terms energy: -337.282999
where:
bonds (distance) C4'-P energy: -63.593
bonds (distance) P-C4' energy: -70.407
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -83.611
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1261.278408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.278408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.078408 (E_RNA)
where:
Base-Base interactions energy: -734.034
where: short stacking energy: -296.748
Base-Backbone interact. energy: -0.166
local terms energy: -330.879018
where:
bonds (distance) C4'-P energy: -76.990
bonds (distance) P-C4' energy: -67.379
flat angles C4'-P-C4' energy: -75.142
flat angles P-C4'-P energy: -46.821
tors. eta vs tors. theta energy: -64.547
Dist. restrs. and SS energy: -196.200 (S_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: 151
Temperature: 1.150000
Total energy: -1222.558167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.558167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.958167 (E_RNA)
where:
Base-Base interactions energy: -730.554
where: short stacking energy: -307.378
Base-Backbone interact. energy: -1.867
local terms energy: -288.536739
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -53.858
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -38.251
tors. eta vs tors. theta energy: -70.804
Dist. restrs. and SS energy: -201.600 (S_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: 151
Temperature: 1.200000
Total energy: -1194.376780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.376780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.976780 (E_RNA)
where:
Base-Base interactions energy: -682.386
where: short stacking energy: -274.510
Base-Backbone interact. energy: -1.024
local terms energy: -307.566585
where:
bonds (distance) C4'-P energy: -69.732
bonds (distance) P-C4' energy: -59.487
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: -74.392
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1100.197998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.197998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.797998 (E_RNA)
where:
Base-Base interactions energy: -606.278
where: short stacking energy: -246.059
Base-Backbone interact. energy: 1.279
local terms energy: -309.799058
where:
bonds (distance) C4'-P energy: -71.681
bonds (distance) P-C4' energy: -71.321
flat angles C4'-P-C4' energy: -63.645
flat angles P-C4'-P energy: -46.653
tors. eta vs tors. theta energy: -56.500
Dist. restrs. and SS energy: -185.400 (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: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -965.599085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.599085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.599085 (E_RNA)
where:
Base-Base interactions energy: -529.908
where: short stacking energy: -215.351
Base-Backbone interact. energy: 1.592
local terms energy: -266.282795
where:
bonds (distance) C4'-P energy: -58.321
bonds (distance) P-C4' energy: -70.727
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -32.143
Dist. restrs. and SS energy: -171.000 (S_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: 151
Temperature: 1.350000
Total energy: -1051.744495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.744495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.744495 (E_RNA)
where:
Base-Base interactions energy: -594.716
where: short stacking energy: -222.106
Base-Backbone interact. energy: 2.210
local terms energy: -270.238230
where:
bonds (distance) C4'-P energy: -45.683
bonds (distance) P-C4' energy: -64.677
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -55.499
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. 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: -1466.610822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.610822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.610822 (E_RNA)
where:
Base-Base interactions energy: -896.638
where: short stacking energy: -348.119
Base-Backbone interact. energy: -2.831
local terms energy: -369.142202
where:
bonds (distance) C4'-P energy: -68.616
bonds (distance) P-C4' energy: -68.650
flat angles C4'-P-C4' energy: -81.302
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -100.368
Dist. restrs. and SS energy: -198.000 (S_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: 152
Temperature: 0.950000
Total energy: -1402.889500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.889500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.689500 (E_RNA)
where:
Base-Base interactions energy: -812.990
where: short stacking energy: -344.986
Base-Backbone interact. energy: -0.208
local terms energy: -375.491030
where:
bonds (distance) C4'-P energy: -62.693
bonds (distance) P-C4' energy: -69.964
flat angles C4'-P-C4' energy: -85.982
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -104.227
Dist. restrs. and SS energy: -214.200 (S_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: 152
Temperature: 1.000000
Total energy: -1388.771565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.771565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.771565 (E_RNA)
where:
Base-Base interactions energy: -825.984
where: short stacking energy: -334.563
Base-Backbone interact. energy: -1.048
local terms energy: -354.739691
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -70.725
flat angles C4'-P-C4' energy: -72.429
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -95.604
Dist. restrs. and SS energy: -207.000 (S_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: 152
Temperature: 1.050000
Total energy: -1306.302181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.302181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.502181 (E_RNA)
where:
Base-Base interactions energy: -777.301
where: short stacking energy: -320.669
Base-Backbone interact. energy: -1.091
local terms energy: -328.110394
where:
bonds (distance) C4'-P energy: -63.148
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -65.645
flat angles P-C4'-P energy: -50.582
tors. eta vs tors. theta energy: -77.102
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1258.940015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.940015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.540015 (E_RNA)
where:
Base-Base interactions energy: -716.465
where: short stacking energy: -301.878
Base-Backbone interact. energy: -2.015
local terms energy: -346.060572
where:
bonds (distance) C4'-P energy: -69.408
bonds (distance) P-C4' energy: -74.240
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -50.587
tors. eta vs tors. theta energy: -76.525
Dist. restrs. and SS energy: -194.400 (S_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: 152
Temperature: 1.150000
Total energy: -1241.799697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.799697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.399697 (E_RNA)
where:
Base-Base interactions energy: -724.766
where: short stacking energy: -284.408
Base-Backbone interact. energy: 4.648
local terms energy: -318.281701
where:
bonds (distance) C4'-P energy: -64.350
bonds (distance) P-C4' energy: -70.062
flat angles C4'-P-C4' energy: -72.547
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: -62.877
Dist. restrs. and SS energy: -203.400 (S_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: 152
Temperature: 1.200000
Total energy: -1096.290438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.290438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.690438 (E_RNA)
where:
Base-Base interactions energy: -622.030
where: short stacking energy: -276.726
Base-Backbone interact. energy: 0.095
local terms energy: -281.755355
where:
bonds (distance) C4'-P energy: -58.881
bonds (distance) P-C4' energy: -58.535
flat angles C4'-P-C4' energy: -53.761
flat angles P-C4'-P energy: -48.297
tors. eta vs tors. theta energy: -62.282
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1182.080980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.080980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.280980 (E_RNA)
where:
Base-Base interactions energy: -677.538
where: short stacking energy: -264.028
Base-Backbone interact. energy: 0.784
local terms energy: -305.527620
where:
bonds (distance) C4'-P energy: -64.544
bonds (distance) P-C4' energy: -66.874
flat angles C4'-P-C4' energy: -67.325
flat angles P-C4'-P energy: -39.460
tors. eta vs tors. theta energy: -67.325
Dist. restrs. and SS energy: -199.800 (S_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: 152
Temperature: 1.300000
Total energy: -1075.308119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.308119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.908119 (E_RNA)
where:
Base-Base interactions energy: -603.132
where: short stacking energy: -237.234
Base-Backbone interact. energy: 3.764
local terms energy: -290.539589
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -54.674
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -50.656
tors. eta vs tors. theta energy: -56.964
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -921.802520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.802520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.402520 (E_RNA)
where:
Base-Base interactions energy: -525.090
where: short stacking energy: -217.705
Base-Backbone interact. energy: 0.032
local terms energy: -238.345391
where:
bonds (distance) C4'-P energy: -56.696
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -30.576
tors. eta vs tors. theta energy: -32.233
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. 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: -1463.290721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.290721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.490721 (E_RNA)
where:
Base-Base interactions energy: -909.697
where: short stacking energy: -362.751
Base-Backbone interact. energy: 3.829
local terms energy: -357.622941
where:
bonds (distance) C4'-P energy: -66.875
bonds (distance) P-C4' energy: -71.188
flat angles C4'-P-C4' energy: -64.105
flat angles P-C4'-P energy: -56.160
tors. eta vs tors. theta energy: -99.295
Dist. restrs. and SS energy: -199.800 (S_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: 153
Temperature: 0.950000
Total energy: -1402.171843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.171843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.771843 (E_RNA)
where:
Base-Base interactions energy: -811.986
where: short stacking energy: -326.136
Base-Backbone interact. energy: -1.390
local terms energy: -376.395295
where:
bonds (distance) C4'-P energy: -70.534
bonds (distance) P-C4' energy: -73.875
flat angles C4'-P-C4' energy: -78.485
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -93.556
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1406.034104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.034104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.034104 (E_RNA)
where:
Base-Base interactions energy: -814.858
where: short stacking energy: -355.530
Base-Backbone interact. energy: -1.152
local terms energy: -383.023634
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -79.017
flat angles C4'-P-C4' energy: -81.519
flat angles P-C4'-P energy: -61.661
tors. eta vs tors. theta energy: -99.977
Dist. restrs. and SS energy: -207.000 (S_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: 153
Temperature: 1.050000
Total energy: -1271.099473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.099473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.299473 (E_RNA)
where:
Base-Base interactions energy: -735.370
where: short stacking energy: -302.391
Base-Backbone interact. energy: -0.951
local terms energy: -334.977851
where:
bonds (distance) C4'-P energy: -68.310
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -74.539
flat angles P-C4'-P energy: -52.048
tors. eta vs tors. theta energy: -70.883
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1228.968642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.968642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.168642 (E_RNA)
where:
Base-Base interactions energy: -719.074
where: short stacking energy: -296.306
Base-Backbone interact. energy: -1.569
local terms energy: -308.526395
where:
bonds (distance) C4'-P energy: -55.692
bonds (distance) P-C4' energy: -64.747
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -70.390
Dist. restrs. and SS energy: -199.800 (S_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: 153
Temperature: 1.150000
Total energy: -1127.766132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.766132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.766132 (E_RNA)
where:
Base-Base interactions energy: -644.512
where: short stacking energy: -260.387
Base-Backbone interact. energy: -1.012
local terms energy: -293.241747
where:
bonds (distance) C4'-P energy: -50.364
bonds (distance) P-C4' energy: -71.155
flat angles C4'-P-C4' energy: -70.712
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -55.859
Dist. restrs. and SS energy: -189.000 (S_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: 153
Temperature: 1.200000
Total energy: -1200.047625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.047625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.647625 (E_RNA)
where:
Base-Base interactions energy: -708.404
where: short stacking energy: -284.435
Base-Backbone interact. energy: 3.136
local terms energy: -300.378972
where:
bonds (distance) C4'-P energy: -48.371
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -77.872
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -73.876
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1157.278755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.278755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.678755 (E_RNA)
where:
Base-Base interactions energy: -664.556
where: short stacking energy: -257.710
Base-Backbone interact. energy: 0.423
local terms energy: -291.545978
where:
bonds (distance) C4'-P energy: -54.788
bonds (distance) P-C4' energy: -58.020
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -64.815
Dist. restrs. and SS energy: -201.600 (S_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: 153
Temperature: 1.300000
Total energy: -1041.163733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.163733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.563733 (E_RNA)
where:
Base-Base interactions energy: -587.652
where: short stacking energy: -241.148
Base-Backbone interact. energy: 1.107
local terms energy: -271.018151
where:
bonds (distance) C4'-P energy: -56.022
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -66.044
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -55.830
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -910.692884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.692884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.892884 (E_RNA)
where:
Base-Base interactions energy: -508.560
where: short stacking energy: -201.769
Base-Backbone interact. energy: -2.845
local terms energy: -235.487007
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -65.075
flat angles C4'-P-C4' energy: -55.890
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: -29.896
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1460.396320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.396320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.596320 (E_RNA)
where:
Base-Base interactions energy: -901.579
where: short stacking energy: -332.502
Base-Backbone interact. energy: 3.541
local terms energy: -362.558175
where:
bonds (distance) C4'-P energy: -72.291
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -75.732
flat angles P-C4'-P energy: -54.836
tors. eta vs tors. theta energy: -91.181
Dist. restrs. and SS energy: -199.800 (S_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: 154
Temperature: 0.950000
Total energy: -1394.576713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.576713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.576713 (E_RNA)
where:
Base-Base interactions energy: -811.077
where: short stacking energy: -352.399
Base-Backbone interact. energy: -2.575
local terms energy: -364.924351
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -58.117
flat angles C4'-P-C4' energy: -78.256
flat angles P-C4'-P energy: -57.485
tors. eta vs tors. theta energy: -101.570
Dist. restrs. and SS energy: -216.000 (S_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: 154
Temperature: 1.000000
Total energy: -1395.240218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.240218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.440218 (E_RNA)
where:
Base-Base interactions energy: -828.324
where: short stacking energy: -348.718
Base-Backbone interact. energy: -0.913
local terms energy: -357.203203
where:
bonds (distance) C4'-P energy: -66.446
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -80.928
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -101.698
Dist. restrs. and SS energy: -208.800 (S_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: 154
Temperature: 1.050000
Total energy: -1280.330483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.330483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.530483 (E_RNA)
where:
Base-Base interactions energy: -726.848
where: short stacking energy: -305.739
Base-Backbone interact. energy: -1.581
local terms energy: -352.102184
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -74.154
flat angles C4'-P-C4' energy: -80.376
flat angles P-C4'-P energy: -53.429
tors. eta vs tors. theta energy: -80.553
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1211.855931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.855931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.255931 (E_RNA)
where:
Base-Base interactions energy: -708.664
where: short stacking energy: -286.269
Base-Backbone interact. energy: -2.188
local terms energy: -299.403391
where:
bonds (distance) C4'-P energy: -65.420
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -73.052
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -61.709
Dist. restrs. and SS energy: -201.600 (S_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: 154
Temperature: 1.150000
Total energy: -1134.404085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.404085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.204085 (E_RNA)
where:
Base-Base interactions energy: -672.980
where: short stacking energy: -265.934
Base-Backbone interact. energy: -2.298
local terms energy: -271.926223
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -61.152
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -32.619
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: -187.200 (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: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1165.078926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.078926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.478926 (E_RNA)
where:
Base-Base interactions energy: -665.502
where: short stacking energy: -272.948
Base-Backbone interact. energy: 0.635
local terms energy: -298.611857
where:
bonds (distance) C4'-P energy: -67.232
bonds (distance) P-C4' energy: -65.676
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -72.451
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1169.111685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.111685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.111685 (E_RNA)
where:
Base-Base interactions energy: -698.125
where: short stacking energy: -285.676
Base-Backbone interact. energy: -3.845
local terms energy: -269.141013
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -56.673
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -64.547
Dist. restrs. and SS energy: -198.000 (S_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: 154
Temperature: 1.300000
Total energy: -1028.243932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.243932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.243932 (E_RNA)
where:
Base-Base interactions energy: -580.173
where: short stacking energy: -230.217
Base-Backbone interact. energy: -1.022
local terms energy: -267.049484
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: -53.874
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -902.511514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.511514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.711514 (E_RNA)
where:
Base-Base interactions energy: -509.489
where: short stacking energy: -208.359
Base-Backbone interact. energy: -0.125
local terms energy: -229.097345
where:
bonds (distance) C4'-P energy: -60.857
bonds (distance) P-C4' energy: -67.283
flat angles C4'-P-C4' energy: -53.603
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -31.873
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1473.370654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.370654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.770654 (E_RNA)
where:
Base-Base interactions energy: -889.325
where: short stacking energy: -356.911
Base-Backbone interact. energy: -2.097
local terms energy: -380.348622
where:
bonds (distance) C4'-P energy: -79.632
bonds (distance) P-C4' energy: -67.742
flat angles C4'-P-C4' energy: -71.702
flat angles P-C4'-P energy: -57.130
tors. eta vs tors. theta energy: -104.142
Dist. restrs. and SS energy: -201.600 (S_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: 155
Temperature: 0.950000
Total energy: -1404.575617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.575617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.575617 (E_RNA)
where:
Base-Base interactions energy: -821.156
where: short stacking energy: -340.999
Base-Backbone interact. energy: -2.013
local terms energy: -365.406880
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -78.729
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -102.421
Dist. restrs. and SS energy: -216.000 (S_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: 155
Temperature: 1.000000
Total energy: -1417.195119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.195119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.995119 (E_RNA)
where:
Base-Base interactions energy: -827.510
where: short stacking energy: -355.650
Base-Backbone interact. energy: -0.590
local terms energy: -383.895167
where:
bonds (distance) C4'-P energy: -68.779
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -87.695
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -103.072
Dist. restrs. and SS energy: -205.200 (S_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: 155
Temperature: 1.050000
Total energy: -1300.909396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.909396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.309396 (E_RNA)
where:
Base-Base interactions energy: -754.272
where: short stacking energy: -317.070
Base-Backbone interact. energy: -0.517
local terms energy: -344.520938
where:
bonds (distance) C4'-P energy: -74.201
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -72.723
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -86.259
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1222.111539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.111539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.911539 (E_RNA)
where:
Base-Base interactions energy: -694.936
where: short stacking energy: -292.197
Base-Backbone interact. energy: -1.386
local terms energy: -329.589780
where:
bonds (distance) C4'-P energy: -74.495
bonds (distance) P-C4' energy: -70.363
flat angles C4'-P-C4' energy: -66.718
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -70.616
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1210.706399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.706399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.306399 (E_RNA)
where:
Base-Base interactions energy: -689.227
where: short stacking energy: -286.580
Base-Backbone interact. energy: -1.150
local terms energy: -316.929690
where:
bonds (distance) C4'-P energy: -66.306
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -70.735
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -74.089
Dist. restrs. and SS energy: -203.400 (S_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: 155
Temperature: 1.200000
Total energy: -1112.208170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.208170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.608170 (E_RNA)
where:
Base-Base interactions energy: -630.320
where: short stacking energy: -252.839
Base-Backbone interact. energy: -1.084
local terms energy: -288.205117
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -65.977
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -60.201
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1139.114448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.114448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.314448 (E_RNA)
where:
Base-Base interactions energy: -629.592
where: short stacking energy: -243.182
Base-Backbone interact. energy: -2.426
local terms energy: -316.296903
where:
bonds (distance) C4'-P energy: -66.124
bonds (distance) P-C4' energy: -73.736
flat angles C4'-P-C4' energy: -77.040
flat angles P-C4'-P energy: -41.690
tors. eta vs tors. theta energy: -57.707
Dist. restrs. and SS energy: -190.800 (S_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: 155
Temperature: 1.300000
Total energy: -1002.097606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.097606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.297606 (E_RNA)
where:
Base-Base interactions energy: -569.792
where: short stacking energy: -224.328
Base-Backbone interact. energy: -0.667
local terms energy: -249.839370
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -72.748
flat angles C4'-P-C4' energy: -61.334
flat angles P-C4'-P energy: -30.822
tors. eta vs tors. theta energy: -38.596
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -911.379235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.379235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.579235 (E_RNA)
where:
Base-Base interactions energy: -492.405
where: short stacking energy: -200.880
Base-Backbone interact. energy: -1.825
local terms energy: -253.349166
where:
bonds (distance) C4'-P energy: -61.274
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -66.307
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1465.463478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.463478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.863478 (E_RNA)
where:
Base-Base interactions energy: -876.928
where: short stacking energy: -345.043
Base-Backbone interact. energy: -2.531
local terms energy: -384.405011
where:
bonds (distance) C4'-P energy: -73.814
bonds (distance) P-C4' energy: -72.672
flat angles C4'-P-C4' energy: -78.345
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -95.066
Dist. restrs. and SS energy: -201.600 (S_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: 156
Temperature: 0.950000
Total energy: -1396.362760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.362760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.362760 (E_RNA)
where:
Base-Base interactions energy: -810.482
where: short stacking energy: -346.880
Base-Backbone interact. energy: 0.279
local terms energy: -370.160035
where:
bonds (distance) C4'-P energy: -71.039
bonds (distance) P-C4' energy: -78.121
flat angles C4'-P-C4' energy: -72.341
flat angles P-C4'-P energy: -56.515
tors. eta vs tors. theta energy: -92.143
Dist. restrs. and SS energy: -216.000 (S_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: 156
Temperature: 1.000000
Total energy: -1401.277077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.277077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.877077 (E_RNA)
where:
Base-Base interactions energy: -823.732
where: short stacking energy: -342.552
Base-Backbone interact. energy: 0.267
local terms energy: -374.411704
where:
bonds (distance) C4'-P energy: -69.271
bonds (distance) P-C4' energy: -66.678
flat angles C4'-P-C4' energy: -87.780
flat angles P-C4'-P energy: -53.959
tors. eta vs tors. theta energy: -96.724
Dist. restrs. and SS energy: -203.400 (S_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: 156
Temperature: 1.050000
Total energy: -1287.552961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.552961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.552961 (E_RNA)
where:
Base-Base interactions energy: -744.519
where: short stacking energy: -317.835
Base-Backbone interact. energy: -4.657
local terms energy: -340.376682
where:
bonds (distance) C4'-P energy: -78.395
bonds (distance) P-C4' energy: -62.158
flat angles C4'-P-C4' energy: -71.221
flat angles P-C4'-P energy: -49.669
tors. eta vs tors. theta energy: -78.935
Dist. restrs. and SS energy: -198.000 (S_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: 156
Temperature: 1.100000
Total energy: -1250.157996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.157996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.357996 (E_RNA)
where:
Base-Base interactions energy: -716.462
where: short stacking energy: -282.379
Base-Backbone interact. energy: 0.135
local terms energy: -325.030616
where:
bonds (distance) C4'-P energy: -59.621
bonds (distance) P-C4' energy: -67.482
flat angles C4'-P-C4' energy: -82.255
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -69.137
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1212.574847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.574847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.974847 (E_RNA)
where:
Base-Base interactions energy: -693.336
where: short stacking energy: -287.697
Base-Backbone interact. energy: -3.685
local terms energy: -322.953764
where:
bonds (distance) C4'-P energy: -64.724
bonds (distance) P-C4' energy: -63.155
flat angles C4'-P-C4' energy: -69.925
flat angles P-C4'-P energy: -45.592
tors. eta vs tors. theta energy: -79.557
Dist. restrs. and SS energy: -192.600 (S_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: 156
Temperature: 1.200000
Total energy: -1164.171127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.171127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.971127 (E_RNA)
where:
Base-Base interactions energy: -667.090
where: short stacking energy: -263.204
Base-Backbone interact. energy: -0.378
local terms energy: -300.503016
where:
bonds (distance) C4'-P energy: -65.724
bonds (distance) P-C4' energy: -62.964
flat angles C4'-P-C4' energy: -72.903
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -59.348
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1164.152636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.152636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.352636 (E_RNA)
where:
Base-Base interactions energy: -671.127
where: short stacking energy: -268.671
Base-Backbone interact. energy: -2.232
local terms energy: -290.994125
where:
bonds (distance) C4'-P energy: -59.722
bonds (distance) P-C4' energy: -54.769
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -65.352
Dist. restrs. and SS energy: -199.800 (S_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: 156
Temperature: 1.300000
Total energy: -1047.625000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.625000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.025000 (E_RNA)
where:
Base-Base interactions energy: -584.323
where: short stacking energy: -235.892
Base-Backbone interact. energy: -0.870
local terms energy: -278.831439
where:
bonds (distance) C4'-P energy: -61.293
bonds (distance) P-C4' energy: -60.169
flat angles C4'-P-C4' energy: -70.429
flat angles P-C4'-P energy: -43.052
tors. eta vs tors. theta energy: -43.888
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -907.420311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.420311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.620311 (E_RNA)
where:
Base-Base interactions energy: -495.957
where: short stacking energy: -205.024
Base-Backbone interact. energy: 0.208
local terms energy: -247.870850
where:
bonds (distance) C4'-P energy: -53.939
bonds (distance) P-C4' energy: -64.911
flat angles C4'-P-C4' energy: -57.017
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -36.854
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. 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: -1470.622862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.022862 (E_RNA)
where:
Base-Base interactions energy: -886.229
where: short stacking energy: -346.276
Base-Backbone interact. energy: -2.330
local terms energy: -380.463458
where:
bonds (distance) C4'-P energy: -65.216
bonds (distance) P-C4' energy: -72.923
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -60.078
tors. eta vs tors. theta energy: -94.192
Dist. restrs. and SS energy: -201.600 (S_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: 157
Temperature: 0.950000
Total energy: -1428.861146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.861146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.061146 (E_RNA)
where:
Base-Base interactions energy: -841.863
where: short stacking energy: -353.658
Base-Backbone interact. energy: -1.937
local terms energy: -376.262067
where:
bonds (distance) C4'-P energy: -62.621
bonds (distance) P-C4' energy: -71.541
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -56.824
tors. eta vs tors. theta energy: -102.573
Dist. restrs. and SS energy: -208.800 (S_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: 157
Temperature: 1.000000
Total energy: -1383.831589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.831589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.431589 (E_RNA)
where:
Base-Base interactions energy: -800.019
where: short stacking energy: -347.806
Base-Backbone interact. energy: -1.169
local terms energy: -370.244344
where:
bonds (distance) C4'-P energy: -66.122
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -75.183
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -95.199
Dist. restrs. and SS energy: -212.400 (S_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: 157
Temperature: 1.050000
Total energy: -1307.257494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.257494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.257494 (E_RNA)
where:
Base-Base interactions energy: -765.544
where: short stacking energy: -323.848
Base-Backbone interact. energy: -2.895
local terms energy: -340.818376
where:
bonds (distance) C4'-P energy: -65.877
bonds (distance) P-C4' energy: -78.558
flat angles C4'-P-C4' energy: -77.879
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -76.652
Dist. restrs. and SS energy: -198.000 (S_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: 157
Temperature: 1.100000
Total energy: -1232.901558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.901558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.101558 (E_RNA)
where:
Base-Base interactions energy: -730.872
where: short stacking energy: -295.542
Base-Backbone interact. energy: -1.829
local terms energy: -300.400082
where:
bonds (distance) C4'-P energy: -56.092
bonds (distance) P-C4' energy: -64.586
flat angles C4'-P-C4' energy: -61.983
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -77.411
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1228.003149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.003149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.203149 (E_RNA)
where:
Base-Base interactions energy: -694.140
where: short stacking energy: -296.629
Base-Backbone interact. energy: -1.274
local terms energy: -323.788934
where:
bonds (distance) C4'-P energy: -63.217
bonds (distance) P-C4' energy: -70.930
flat angles C4'-P-C4' energy: -78.781
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -71.180
Dist. restrs. and SS energy: -208.800 (S_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: -1137.411822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.411822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.611822 (E_RNA)
where:
Base-Base interactions energy: -648.827
where: short stacking energy: -268.735
Base-Backbone interact. energy: 1.179
local terms energy: -289.963986
where:
bonds (distance) C4'-P energy: -54.178
bonds (distance) P-C4' energy: -62.654
flat angles C4'-P-C4' energy: -71.160
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -67.679
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1176.176869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.176869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.376869 (E_RNA)
where:
Base-Base interactions energy: -680.756
where: short stacking energy: -252.952
Base-Backbone interact. energy: 6.496
local terms energy: -302.117106
where:
bonds (distance) C4'-P energy: -61.694
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -68.634
flat angles P-C4'-P energy: -47.352
tors. eta vs tors. theta energy: -56.886
Dist. restrs. and SS energy: -199.800 (S_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: 157
Temperature: 1.300000
Total energy: -1034.156291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.156291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.556291 (E_RNA)
where:
Base-Base interactions energy: -577.115
where: short stacking energy: -240.891
Base-Backbone interact. energy: 1.491
local terms energy: -283.932484
where:
bonds (distance) C4'-P energy: -57.458
bonds (distance) P-C4' energy: -54.645
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -48.332
tors. eta vs tors. theta energy: -64.701
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -896.133629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.133629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.333629 (E_RNA)
where:
Base-Base interactions energy: -508.417
where: short stacking energy: -203.947
Base-Backbone interact. energy: -0.776
local terms energy: -223.141027
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -53.635
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -33.187
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1481.846245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.846245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.046245 (E_RNA)
where:
Base-Base interactions energy: -924.126
where: short stacking energy: -360.687
Base-Backbone interact. energy: 0.687
local terms energy: -358.607536
where:
bonds (distance) C4'-P energy: -67.949
bonds (distance) P-C4' energy: -68.772
flat angles C4'-P-C4' energy: -81.061
flat angles P-C4'-P energy: -56.890
tors. eta vs tors. theta energy: -83.935
Dist. restrs. and SS energy: -199.800 (S_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: 158
Temperature: 0.950000
Total energy: -1429.583936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.583936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.183936 (E_RNA)
where:
Base-Base interactions energy: -827.514
where: short stacking energy: -351.910
Base-Backbone interact. energy: 0.311
local terms energy: -398.980557
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -78.927
flat angles C4'-P-C4' energy: -78.875
flat angles P-C4'-P energy: -55.414
tors. eta vs tors. theta energy: -107.543
Dist. restrs. and SS energy: -203.400 (S_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: 158
Temperature: 1.000000
Total energy: -1374.804545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.804545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.404545 (E_RNA)
where:
Base-Base interactions energy: -800.145
where: short stacking energy: -330.805
Base-Backbone interact. energy: -2.318
local terms energy: -359.941672
where:
bonds (distance) C4'-P energy: -65.236
bonds (distance) P-C4' energy: -75.482
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -48.569
tors. eta vs tors. theta energy: -97.160
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1310.046320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.046320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.246320 (E_RNA)
where:
Base-Base interactions energy: -773.804
where: short stacking energy: -320.061
Base-Backbone interact. energy: -1.956
local terms energy: -334.486255
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -70.272
flat angles C4'-P-C4' energy: -81.406
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: -77.804
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1261.956291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.956291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.556291 (E_RNA)
where:
Base-Base interactions energy: -743.864
where: short stacking energy: -300.187
Base-Backbone interact. energy: -0.939
local terms energy: -304.753484
where:
bonds (distance) C4'-P energy: -60.343
bonds (distance) P-C4' energy: -63.389
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -39.883
tors. eta vs tors. theta energy: -74.842
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1199.750272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.750272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.750272 (E_RNA)
where:
Base-Base interactions energy: -697.485
where: short stacking energy: -286.369
Base-Backbone interact. energy: -1.270
local terms energy: -293.995318
where:
bonds (distance) C4'-P energy: -57.040
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -65.650
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -73.457
Dist. restrs. and SS energy: -207.000 (S_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: 158
Temperature: 1.200000
Total energy: -1173.951278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.951278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.351278 (E_RNA)
where:
Base-Base interactions energy: -683.187
where: short stacking energy: -277.271
Base-Backbone interact. energy: 1.377
local terms energy: -290.541297
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -54.342
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -71.814
Dist. restrs. and SS energy: -201.600 (S_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: 158
Temperature: 1.250000
Total energy: -1133.751203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.751203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.751203 (E_RNA)
where:
Base-Base interactions energy: -661.469
where: short stacking energy: -271.743
Base-Backbone interact. energy: -3.056
local terms energy: -280.226814
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -53.991
flat angles C4'-P-C4' energy: -65.375
flat angles P-C4'-P energy: -42.626
tors. eta vs tors. theta energy: -61.486
Dist. restrs. and SS energy: -189.000 (S_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: 158
Temperature: 1.300000
Total energy: -1040.033235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.033235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.633235 (E_RNA)
where:
Base-Base interactions energy: -573.389
where: short stacking energy: -235.968
Base-Backbone interact. energy: -0.128
local terms energy: -281.115821
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -66.453
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: -46.562
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -877.408418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.408418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.208418 (E_RNA)
where:
Base-Base interactions energy: -472.455
where: short stacking energy: -185.064
Base-Backbone interact. energy: -1.265
local terms energy: -243.488291
where:
bonds (distance) C4'-P energy: -60.996
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -38.019
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1476.913527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.913527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.113527 (E_RNA)
where:
Base-Base interactions energy: -916.250
where: short stacking energy: -337.220
Base-Backbone interact. energy: 0.727
local terms energy: -361.590989
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -75.289
flat angles C4'-P-C4' energy: -79.253
flat angles P-C4'-P energy: -53.997
tors. eta vs tors. theta energy: -88.410
Dist. restrs. and SS energy: -199.800 (S_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: 159
Temperature: 0.950000
Total energy: -1395.855941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.855941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.255941 (E_RNA)
where:
Base-Base interactions energy: -809.765
where: short stacking energy: -323.529
Base-Backbone interact. energy: -1.421
local terms energy: -374.070062
where:
bonds (distance) C4'-P energy: -73.259
bonds (distance) P-C4' energy: -75.965
flat angles C4'-P-C4' energy: -75.886
flat angles P-C4'-P energy: -53.210
tors. eta vs tors. theta energy: -95.750
Dist. restrs. and SS energy: -210.600 (S_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: 159
Temperature: 1.000000
Total energy: -1405.561989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.561989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.761989 (E_RNA)
where:
Base-Base interactions energy: -812.997
where: short stacking energy: -350.699
Base-Backbone interact. energy: -1.694
local terms energy: -382.071564
where:
bonds (distance) C4'-P energy: -68.181
bonds (distance) P-C4' energy: -75.725
flat angles C4'-P-C4' energy: -77.560
flat angles P-C4'-P energy: -57.684
tors. eta vs tors. theta energy: -102.921
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1313.831247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.831247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.031247 (E_RNA)
where:
Base-Base interactions energy: -768.770
where: short stacking energy: -316.586
Base-Backbone interact. energy: -2.444
local terms energy: -342.817691
where:
bonds (distance) C4'-P energy: -71.140
bonds (distance) P-C4' energy: -65.129
flat angles C4'-P-C4' energy: -74.825
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: -81.837
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1260.883525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.883525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.083525 (E_RNA)
where:
Base-Base interactions energy: -735.226
where: short stacking energy: -289.607
Base-Backbone interact. energy: 2.587
local terms energy: -319.444750
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -57.770
flat angles C4'-P-C4' energy: -67.213
flat angles P-C4'-P energy: -52.551
tors. eta vs tors. theta energy: -79.087
Dist. restrs. and SS energy: -208.800 (S_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: 159
Temperature: 1.150000
Total energy: -1224.869852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.869852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.069852 (E_RNA)
where:
Base-Base interactions energy: -698.654
where: short stacking energy: -286.083
Base-Backbone interact. energy: -2.338
local terms energy: -324.078022
where:
bonds (distance) C4'-P energy: -65.483
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -84.134
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -72.148
Dist. restrs. and SS energy: -199.800 (S_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: 159
Temperature: 1.200000
Total energy: -1200.554452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.554452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.954452 (E_RNA)
where:
Base-Base interactions energy: -696.117
where: short stacking energy: -287.371
Base-Backbone interact. energy: -1.493
local terms energy: -301.344440
where:
bonds (distance) C4'-P energy: -59.009
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -61.417
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -80.295
Dist. restrs. and SS energy: -201.600 (S_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: 159
Temperature: 1.250000
Total energy: -1057.087516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.087516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.887516 (E_RNA)
where:
Base-Base interactions energy: -588.276
where: short stacking energy: -246.946
Base-Backbone interact. energy: -1.495
local terms energy: -280.116423
where:
bonds (distance) C4'-P energy: -63.695
bonds (distance) P-C4' energy: -59.709
flat angles C4'-P-C4' energy: -59.695
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -51.692
Dist. restrs. and SS energy: -187.200 (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: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1071.504429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.504429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.104429 (E_RNA)
where:
Base-Base interactions energy: -583.490
where: short stacking energy: -232.953
Base-Backbone interact. energy: -1.634
local terms energy: -291.980478
where:
bonds (distance) C4'-P energy: -64.053
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -69.174
flat angles P-C4'-P energy: -44.208
tors. eta vs tors. theta energy: -55.982
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -898.679706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.679706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.079706 (E_RNA)
where:
Base-Base interactions energy: -485.384
where: short stacking energy: -203.051
Base-Backbone interact. energy: -3.733
local terms energy: -243.962309
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -56.352
flat angles C4'-P-C4' energy: -69.045
flat angles P-C4'-P energy: -37.207
tors. eta vs tors. theta energy: -35.574
Dist. restrs. and SS energy: -165.600 (S_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: 160
Temperature: 0.900000
Total energy: -1423.914963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.914963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.714963 (E_RNA)
where:
Base-Base interactions energy: -828.853
where: short stacking energy: -358.678
Base-Backbone interact. energy: -1.040
local terms energy: -379.822149
where:
bonds (distance) C4'-P energy: -79.563
bonds (distance) P-C4' energy: -62.283
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -53.729
tors. eta vs tors. theta energy: -104.108
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1441.615414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.615414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.015414 (E_RNA)
where:
Base-Base interactions energy: -888.113
where: short stacking energy: -333.142
Base-Backbone interact. energy: -1.641
local terms energy: -350.261338
where:
bonds (distance) C4'-P energy: -65.780
bonds (distance) P-C4' energy: -69.132
flat angles C4'-P-C4' energy: -78.530
flat angles P-C4'-P energy: -48.829
tors. eta vs tors. theta energy: -87.990
Dist. restrs. and SS energy: -201.600 (S_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: 160
Temperature: 1.000000
Total energy: -1417.846714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.846714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.646714 (E_RNA)
where:
Base-Base interactions energy: -845.636
where: short stacking energy: -369.621
Base-Backbone interact. energy: 0.246
local terms energy: -367.256237
where:
bonds (distance) C4'-P energy: -68.739
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -76.766
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -100.406
Dist. restrs. and SS energy: -205.200 (S_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: 160
Temperature: 1.050000
Total energy: -1306.987115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.987115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.387115 (E_RNA)
where:
Base-Base interactions energy: -765.040
where: short stacking energy: -304.460
Base-Backbone interact. energy: -2.154
local terms energy: -338.193526
where:
bonds (distance) C4'-P energy: -66.387
bonds (distance) P-C4' energy: -83.367
flat angles C4'-P-C4' energy: -72.856
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -79.660
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1261.952734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.952734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.352734 (E_RNA)
where:
Base-Base interactions energy: -744.304
where: short stacking energy: -297.319
Base-Backbone interact. energy: -2.418
local terms energy: -304.630786
where:
bonds (distance) C4'-P energy: -60.330
bonds (distance) P-C4' energy: -63.319
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -63.837
Dist. restrs. and SS energy: -210.600 (S_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: 160
Temperature: 1.150000
Total energy: -1234.204924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.204924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.604924 (E_RNA)
where:
Base-Base interactions energy: -709.836
where: short stacking energy: -293.977
Base-Backbone interact. energy: -1.591
local terms energy: -321.178257
where:
bonds (distance) C4'-P energy: -59.815
bonds (distance) P-C4' energy: -64.580
flat angles C4'-P-C4' energy: -70.797
flat angles P-C4'-P energy: -49.013
tors. eta vs tors. theta energy: -76.973
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1198.409586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.409586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.009586 (E_RNA)
where:
Base-Base interactions energy: -675.037
where: short stacking energy: -274.929
Base-Backbone interact. energy: -0.421
local terms energy: -319.551476
where:
bonds (distance) C4'-P energy: -72.985
bonds (distance) P-C4' energy: -70.660
flat angles C4'-P-C4' energy: -66.043
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -76.169
Dist. restrs. and SS energy: -203.400 (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: 160
Temperature: 1.250000
Total energy: -1055.588758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.588758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.988758 (E_RNA)
where:
Base-Base interactions energy: -594.147
where: short stacking energy: -243.274
Base-Backbone interact. energy: -2.794
local terms energy: -275.048473
where:
bonds (distance) C4'-P energy: -59.822
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -66.006
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1078.980991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.980991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.980991 (E_RNA)
where:
Base-Base interactions energy: -618.194
where: short stacking energy: -250.805
Base-Backbone interact. energy: -0.926
local terms energy: -270.860283
where:
bonds (distance) C4'-P energy: -52.003
bonds (distance) P-C4' energy: -65.324
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -885.622174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.622174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.622174 (E_RNA)
where:
Base-Base interactions energy: -473.249
where: short stacking energy: -189.749
Base-Backbone interact. energy: -2.149
local terms energy: -248.224158
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -72.033
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -47.722
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: -162.000 (S_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: 161
Temperature: 0.900000
Total energy: -1447.595013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.595013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.395013 (E_RNA)
where:
Base-Base interactions energy: -853.179
where: short stacking energy: -366.381
Base-Backbone interact. energy: -2.080
local terms energy: -378.136148
where:
bonds (distance) C4'-P energy: -68.336
bonds (distance) P-C4' energy: -72.230
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -104.067
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1478.466196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.466196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.866196 (E_RNA)
where:
Base-Base interactions energy: -897.964
where: short stacking energy: -338.521
Base-Backbone interact. energy: -3.601
local terms energy: -375.301294
where:
bonds (distance) C4'-P energy: -80.424
bonds (distance) P-C4' energy: -70.850
flat angles C4'-P-C4' energy: -77.746
flat angles P-C4'-P energy: -58.540
tors. eta vs tors. theta energy: -87.742
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1391.647886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.647886 (E_RNA)
where:
Base-Base interactions energy: -824.489
where: short stacking energy: -348.196
Base-Backbone interact. energy: -2.464
local terms energy: -357.694216
where:
bonds (distance) C4'-P energy: -66.129
bonds (distance) P-C4' energy: -67.009
flat angles C4'-P-C4' energy: -77.874
flat angles P-C4'-P energy: -54.242
tors. eta vs tors. theta energy: -92.440
Dist. restrs. and SS energy: -207.000 (S_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: 161
Temperature: 1.050000
Total energy: -1345.058050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.058050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.258050 (E_RNA)
where:
Base-Base interactions energy: -780.162
where: short stacking energy: -335.977
Base-Backbone interact. energy: -1.166
local terms energy: -363.929254
where:
bonds (distance) C4'-P energy: -67.550
bonds (distance) P-C4' energy: -78.816
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -52.560
tors. eta vs tors. theta energy: -83.576
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1265.323274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.323274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.523274 (E_RNA)
where:
Base-Base interactions energy: -721.218
where: short stacking energy: -306.314
Base-Backbone interact. energy: -2.045
local terms energy: -333.259841
where:
bonds (distance) C4'-P energy: -66.979
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -83.633
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1198.248988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.248988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.848988 (E_RNA)
where:
Base-Base interactions energy: -696.883
where: short stacking energy: -280.773
Base-Backbone interact. energy: 1.288
local terms energy: -308.253763
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -61.568
flat angles C4'-P-C4' energy: -73.197
flat angles P-C4'-P energy: -47.113
tors. eta vs tors. theta energy: -62.795
Dist. restrs. and SS energy: -194.400 (S_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: 161
Temperature: 1.200000
Total energy: -1188.840059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.840059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.040059 (E_RNA)
where:
Base-Base interactions energy: -689.180
where: short stacking energy: -273.159
Base-Backbone interact. energy: -1.166
local terms energy: -298.693842
where:
bonds (distance) C4'-P energy: -57.040
bonds (distance) P-C4' energy: -52.398
flat angles C4'-P-C4' energy: -68.434
flat angles P-C4'-P energy: -58.102
tors. eta vs tors. theta energy: -62.720
Dist. restrs. and SS energy: -199.800 (S_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: 161
Temperature: 1.250000
Total energy: -1098.897713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.897713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.897713 (E_RNA)
where:
Base-Base interactions energy: -629.345
where: short stacking energy: -253.732
Base-Backbone interact. energy: -3.789
local terms energy: -276.763740
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -66.905
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -53.276
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1070.940420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.940420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.740420 (E_RNA)
where:
Base-Base interactions energy: -608.797
where: short stacking energy: -247.343
Base-Backbone interact. energy: -1.315
local terms energy: -273.628311
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -67.425
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: -53.089
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -825.704925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.704925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.904925 (E_RNA)
where:
Base-Base interactions energy: -456.675
where: short stacking energy: -180.393
Base-Backbone interact. energy: 2.372
local terms energy: -216.601965
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -56.675
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1472.196557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.196557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.196557 (E_RNA)
where:
Base-Base interactions energy: -907.661
where: short stacking energy: -360.622
Base-Backbone interact. energy: -4.541
local terms energy: -361.993947
where:
bonds (distance) C4'-P energy: -68.965
bonds (distance) P-C4' energy: -68.121
flat angles C4'-P-C4' energy: -76.928
flat angles P-C4'-P energy: -55.135
tors. eta vs tors. theta energy: -92.844
Dist. restrs. and SS energy: -198.000 (S_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: 162
Temperature: 0.950000
Total energy: -1406.589708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.589708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.389708 (E_RNA)
where:
Base-Base interactions energy: -810.692
where: short stacking energy: -346.178
Base-Backbone interact. energy: -1.416
local terms energy: -380.282039
where:
bonds (distance) C4'-P energy: -73.031
bonds (distance) P-C4' energy: -83.714
flat angles C4'-P-C4' energy: -76.960
flat angles P-C4'-P energy: -52.127
tors. eta vs tors. theta energy: -94.450
Dist. restrs. and SS energy: -214.200 (S_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: 162
Temperature: 1.000000
Total energy: -1399.150982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.150982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.950982 (E_RNA)
where:
Base-Base interactions energy: -826.971
where: short stacking energy: -343.899
Base-Backbone interact. energy: -1.460
local terms energy: -365.520453
where:
bonds (distance) C4'-P energy: -70.935
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -82.334
flat angles P-C4'-P energy: -55.562
tors. eta vs tors. theta energy: -93.691
Dist. restrs. and SS energy: -205.200 (S_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: 162
Temperature: 1.050000
Total energy: -1312.004156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.004156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.604156 (E_RNA)
where:
Base-Base interactions energy: -808.754
where: short stacking energy: -296.268
Base-Backbone interact. energy: -0.759
local terms energy: -308.091569
where:
bonds (distance) C4'-P energy: -70.218
bonds (distance) P-C4' energy: -71.554
flat angles C4'-P-C4' energy: -62.892
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -58.008
Dist. restrs. and SS energy: -194.400 (S_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: 162
Temperature: 1.100000
Total energy: -1259.022748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.022748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.822748 (E_RNA)
where:
Base-Base interactions energy: -724.185
where: short stacking energy: -294.483
Base-Backbone interact. energy: 4.171
local terms energy: -333.808599
where:
bonds (distance) C4'-P energy: -68.644
bonds (distance) P-C4' energy: -63.853
flat angles C4'-P-C4' energy: -75.802
flat angles P-C4'-P energy: -48.065
tors. eta vs tors. theta energy: -77.446
Dist. restrs. and SS energy: -205.200 (S_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: 162
Temperature: 1.150000
Total energy: -1247.386949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.386949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.586949 (E_RNA)
where:
Base-Base interactions energy: -721.561
where: short stacking energy: -296.995
Base-Backbone interact. energy: -0.394
local terms energy: -316.631392
where:
bonds (distance) C4'-P energy: -62.131
bonds (distance) P-C4' energy: -68.056
flat angles C4'-P-C4' energy: -72.264
flat angles P-C4'-P energy: -45.522
tors. eta vs tors. theta energy: -68.658
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1188.235152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.235152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.435152 (E_RNA)
where:
Base-Base interactions energy: -702.779
where: short stacking energy: -265.505
Base-Backbone interact. energy: 6.095
local terms energy: -291.750563
where:
bonds (distance) C4'-P energy: -53.895
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -74.343
flat angles P-C4'-P energy: -44.471
tors. eta vs tors. theta energy: -57.830
Dist. restrs. and SS energy: -199.800 (S_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: 162
Temperature: 1.250000
Total energy: -1081.158465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.158465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.558465 (E_RNA)
where:
Base-Base interactions energy: -622.618
where: short stacking energy: -229.661
Base-Backbone interact. energy: -1.885
local terms energy: -264.054980
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -54.448
flat angles C4'-P-C4' energy: -59.839
flat angles P-C4'-P energy: -34.857
tors. eta vs tors. theta energy: -53.687
Dist. restrs. and SS energy: -192.600 (S_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: 162
Temperature: 1.300000
Total energy: -1032.105791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.105791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.505791 (E_RNA)
where:
Base-Base interactions energy: -596.148
where: short stacking energy: -214.089
Base-Backbone interact. energy: 1.894
local terms energy: -254.252270
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -71.215
flat angles C4'-P-C4' energy: -56.233
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -41.846
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -871.240418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.240418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.240418 (E_RNA)
where:
Base-Base interactions energy: -497.664
where: short stacking energy: -195.664
Base-Backbone interact. energy: 1.123
local terms energy: -212.699287
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -60.851
flat angles C4'-P-C4' energy: -46.341
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -28.770
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1470.315053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.315053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.315053 (E_RNA)
where:
Base-Base interactions energy: -895.400
where: short stacking energy: -335.845
Base-Backbone interact. energy: -3.054
local terms energy: -373.860503
where:
bonds (distance) C4'-P energy: -78.858
bonds (distance) P-C4' energy: -74.772
flat angles C4'-P-C4' energy: -80.418
flat angles P-C4'-P energy: -47.588
tors. eta vs tors. theta energy: -92.224
Dist. restrs. and SS energy: -198.000 (S_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: 163
Temperature: 0.950000
Total energy: -1432.443731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.443731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.643731 (E_RNA)
where:
Base-Base interactions energy: -843.047
where: short stacking energy: -355.146
Base-Backbone interact. energy: -1.884
local terms energy: -378.712697
where:
bonds (distance) C4'-P energy: -66.568
bonds (distance) P-C4' energy: -77.131
flat angles C4'-P-C4' energy: -76.980
flat angles P-C4'-P energy: -55.083
tors. eta vs tors. theta energy: -102.951
Dist. restrs. and SS energy: -208.800 (S_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: 163
Temperature: 1.000000
Total energy: -1398.842644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.842644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.842644 (E_RNA)
where:
Base-Base interactions energy: -806.498
where: short stacking energy: -345.249
Base-Backbone interact. energy: -2.106
local terms energy: -374.238763
where:
bonds (distance) C4'-P energy: -72.606
bonds (distance) P-C4' energy: -75.357
flat angles C4'-P-C4' energy: -72.818
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -95.198
Dist. restrs. and SS energy: -216.000 (S_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: 163
Temperature: 1.050000
Total energy: -1289.496900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.496900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.496900 (E_RNA)
where:
Base-Base interactions energy: -756.204
where: short stacking energy: -291.373
Base-Backbone interact. energy: -2.482
local terms energy: -332.810437
where:
bonds (distance) C4'-P energy: -69.786
bonds (distance) P-C4' energy: -78.266
flat angles C4'-P-C4' energy: -69.222
flat angles P-C4'-P energy: -45.029
tors. eta vs tors. theta energy: -70.508
Dist. restrs. and SS energy: -198.000 (S_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: 163
Temperature: 1.100000
Total energy: -1264.871037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.871037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.071037 (E_RNA)
where:
Base-Base interactions energy: -748.482
where: short stacking energy: -309.536
Base-Backbone interact. energy: 1.071
local terms energy: -317.659365
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -66.273
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -75.275
Dist. restrs. and SS energy: -199.800 (S_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: 163
Temperature: 1.150000
Total energy: -1246.255620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.255620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.055620 (E_RNA)
where:
Base-Base interactions energy: -703.633
where: short stacking energy: -306.617
Base-Backbone interact. energy: -1.635
local terms energy: -335.787162
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -65.178
flat angles C4'-P-C4' energy: -78.209
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -79.604
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1171.734870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.734870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.734870 (E_RNA)
where:
Base-Base interactions energy: -685.772
where: short stacking energy: -276.155
Base-Backbone interact. energy: -0.684
local terms energy: -287.279337
where:
bonds (distance) C4'-P energy: -56.686
bonds (distance) P-C4' energy: -72.835
flat angles C4'-P-C4' energy: -67.078
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -45.487
Dist. restrs. and SS energy: -198.000 (S_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: 163
Temperature: 1.250000
Total energy: -1035.854049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.854049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.054049 (E_RNA)
where:
Base-Base interactions energy: -583.837
where: short stacking energy: -223.535
Base-Backbone interact. energy: -3.036
local terms energy: -267.181601
where:
bonds (distance) C4'-P energy: -64.411
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -55.231
Dist. restrs. and SS energy: -181.800 (S_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: 163
Temperature: 1.300000
Total energy: -1079.188991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.188991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.388991 (E_RNA)
where:
Base-Base interactions energy: -609.320
where: short stacking energy: -257.269
Base-Backbone interact. energy: -3.301
local terms energy: -275.767936
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -68.775
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -47.451
tors. eta vs tors. theta energy: -57.741
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -854.857168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.857168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.857168 (E_RNA)
where:
Base-Base interactions energy: -466.491
where: short stacking energy: -192.411
Base-Backbone interact. energy: -0.063
local terms energy: -235.302599
where:
bonds (distance) C4'-P energy: -57.515
bonds (distance) P-C4' energy: -58.795
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -32.846
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1474.966612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.966612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.766612 (E_RNA)
where:
Base-Base interactions energy: -899.601
where: short stacking energy: -346.908
Base-Backbone interact. energy: 2.358
local terms energy: -381.523377
where:
bonds (distance) C4'-P energy: -69.077
bonds (distance) P-C4' energy: -77.337
flat angles C4'-P-C4' energy: -84.569
flat angles P-C4'-P energy: -47.174
tors. eta vs tors. theta energy: -103.366
Dist. restrs. and SS energy: -196.200 (S_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: 164
Temperature: 0.950000
Total energy: -1429.586593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.586593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.186593 (E_RNA)
where:
Base-Base interactions energy: -846.967
where: short stacking energy: -362.168
Base-Backbone interact. energy: 3.971
local terms energy: -383.191143
where:
bonds (distance) C4'-P energy: -73.373
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -76.739
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -105.713
Dist. restrs. and SS energy: -203.400 (S_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: 164
Temperature: 1.000000
Total energy: -1393.816809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.816809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.416809 (E_RNA)
where:
Base-Base interactions energy: -828.294
where: short stacking energy: -355.905
Base-Backbone interact. energy: -2.575
local terms energy: -350.547804
where:
bonds (distance) C4'-P energy: -61.416
bonds (distance) P-C4' energy: -70.088
flat angles C4'-P-C4' energy: -81.439
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -95.781
Dist. restrs. and SS energy: -212.400 (S_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: 164
Temperature: 1.050000
Total energy: -1291.765368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.765368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.965368 (E_RNA)
where:
Base-Base interactions energy: -750.577
where: short stacking energy: -304.877
Base-Backbone interact. energy: -0.904
local terms energy: -340.484747
where:
bonds (distance) C4'-P energy: -67.190
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -77.350
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -75.388
Dist. restrs. and SS energy: -199.800 (S_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: 164
Temperature: 1.100000
Total energy: -1288.705449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.705449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.705449 (E_RNA)
where:
Base-Base interactions energy: -748.678
where: short stacking energy: -307.534
Base-Backbone interact. energy: 2.492
local terms energy: -335.519442
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -69.593
flat angles C4'-P-C4' energy: -79.505
flat angles P-C4'-P energy: -48.547
tors. eta vs tors. theta energy: -76.464
Dist. restrs. and SS energy: -207.000 (S_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: 164
Temperature: 1.150000
Total energy: -1274.585921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.585921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.185921 (E_RNA)
where:
Base-Base interactions energy: -733.639
where: short stacking energy: -305.395
Base-Backbone interact. energy: -2.316
local terms energy: -326.231343
where:
bonds (distance) C4'-P energy: -61.514
bonds (distance) P-C4' energy: -68.959
flat angles C4'-P-C4' energy: -67.934
flat angles P-C4'-P energy: -44.396
tors. eta vs tors. theta energy: -83.428
Dist. restrs. and SS energy: -212.400 (S_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: 164
Temperature: 1.200000
Total energy: -1182.850933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.850933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.250933 (E_RNA)
where:
Base-Base interactions energy: -704.125
where: short stacking energy: -286.531
Base-Backbone interact. energy: 5.856
local terms energy: -282.982413
where:
bonds (distance) C4'-P energy: -59.927
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -66.854
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -63.098
Dist. restrs. and SS energy: -201.600 (S_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: 164
Temperature: 1.250000
Total energy: -1053.257361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.257361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.857361 (E_RNA)
where:
Base-Base interactions energy: -583.964
where: short stacking energy: -241.862
Base-Backbone interact. energy: 0.294
local terms energy: -284.187679
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -63.084
flat angles C4'-P-C4' energy: -59.718
flat angles P-C4'-P energy: -52.370
tors. eta vs tors. theta energy: -52.097
Dist. restrs. and SS energy: -185.400 (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: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1061.192004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.192004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.192004 (E_RNA)
where:
Base-Base interactions energy: -588.183
where: short stacking energy: -227.813
Base-Backbone interact. energy: 0.957
local terms energy: -284.965370
where:
bonds (distance) C4'-P energy: -59.002
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -61.676
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -53.094
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -855.053295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.053295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.653295 (E_RNA)
where:
Base-Base interactions energy: -468.515
where: short stacking energy: -183.465
Base-Backbone interact. energy: -2.357
local terms energy: -225.780950
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -58.276
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1480.325411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.325411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.325411 (E_RNA)
where:
Base-Base interactions energy: -907.122
where: short stacking energy: -354.410
Base-Backbone interact. energy: 3.363
local terms energy: -378.566534
where:
bonds (distance) C4'-P energy: -76.252
bonds (distance) P-C4' energy: -76.042
flat angles C4'-P-C4' energy: -76.703
flat angles P-C4'-P energy: -56.075
tors. eta vs tors. theta energy: -93.494
Dist. restrs. and SS energy: -198.000 (S_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: 165
Temperature: 0.950000
Total energy: -1435.588435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.588435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.388435 (E_RNA)
where:
Base-Base interactions energy: -836.155
where: short stacking energy: -340.795
Base-Backbone interact. energy: -1.799
local terms energy: -392.434327
where:
bonds (distance) C4'-P energy: -73.551
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -84.971
flat angles P-C4'-P energy: -58.185
tors. eta vs tors. theta energy: -101.705
Dist. restrs. and SS energy: -205.200 (S_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: 165
Temperature: 1.000000
Total energy: -1382.366435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.366435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.966435 (E_RNA)
where:
Base-Base interactions energy: -791.607
where: short stacking energy: -332.951
Base-Backbone interact. energy: -0.883
local terms energy: -377.475829
where:
bonds (distance) C4'-P energy: -71.300
bonds (distance) P-C4' energy: -73.165
flat angles C4'-P-C4' energy: -87.300
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -91.126
Dist. restrs. and SS energy: -212.400 (S_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: 165
Temperature: 1.050000
Total energy: -1303.214202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.214202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.014202 (E_RNA)
where:
Base-Base interactions energy: -761.345
where: short stacking energy: -310.360
Base-Backbone interact. energy: -0.268
local terms energy: -345.400671
where:
bonds (distance) C4'-P energy: -63.266
bonds (distance) P-C4' energy: -74.643
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -57.212
tors. eta vs tors. theta energy: -77.123
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1241.882801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.882801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.282801 (E_RNA)
where:
Base-Base interactions energy: -710.125
where: short stacking energy: -299.413
Base-Backbone interact. energy: -0.176
local terms energy: -329.981979
where:
bonds (distance) C4'-P energy: -68.716
bonds (distance) P-C4' energy: -66.551
flat angles C4'-P-C4' energy: -69.486
flat angles P-C4'-P energy: -48.349
tors. eta vs tors. theta energy: -76.880
Dist. restrs. and SS energy: -201.600 (S_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: 165
Temperature: 1.150000
Total energy: -1241.956037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.956037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.556037 (E_RNA)
where:
Base-Base interactions energy: -714.171
where: short stacking energy: -295.740
Base-Backbone interact. energy: 1.729
local terms energy: -317.114385
where:
bonds (distance) C4'-P energy: -52.828
bonds (distance) P-C4' energy: -71.305
flat angles C4'-P-C4' energy: -75.987
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -77.933
Dist. restrs. and SS energy: -212.400 (S_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: 165
Temperature: 1.200000
Total energy: -1193.695753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.695753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.295753 (E_RNA)
where:
Base-Base interactions energy: -677.517
where: short stacking energy: -269.961
Base-Backbone interact. energy: -0.274
local terms energy: -321.505378
where:
bonds (distance) C4'-P energy: -69.846
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -61.289
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -69.930
Dist. restrs. and SS energy: -194.400 (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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1098.550405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.550405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.550405 (E_RNA)
where:
Base-Base interactions energy: -604.773
where: short stacking energy: -251.171
Base-Backbone interact. energy: 3.809
local terms energy: -308.586143
where:
bonds (distance) C4'-P energy: -68.911
bonds (distance) P-C4' energy: -59.811
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -45.181
tors. eta vs tors. theta energy: -64.827
Dist. restrs. and SS energy: -189.000 (S_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: 165
Temperature: 1.300000
Total energy: -1029.743013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.743013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.543013 (E_RNA)
where:
Base-Base interactions energy: -566.877
where: short stacking energy: -220.839
Base-Backbone interact. energy: 2.442
local terms energy: -278.108261
where:
bonds (distance) C4'-P energy: -60.517
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -70.071
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -46.167
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -841.305026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.305026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.105026 (E_RNA)
where:
Base-Base interactions energy: -457.042
where: short stacking energy: -176.262
Base-Backbone interact. energy: -0.196
local terms energy: -232.866621
where:
bonds (distance) C4'-P energy: -57.210
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -61.028
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -31.943
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1493.615985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.615985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.415985 (E_RNA)
where:
Base-Base interactions energy: -927.530
where: short stacking energy: -358.855
Base-Backbone interact. energy: -2.793
local terms energy: -367.093458
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -82.186
flat angles P-C4'-P energy: -52.422
tors. eta vs tors. theta energy: -96.342
Dist. restrs. and SS energy: -196.200 (S_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: 166
Temperature: 0.950000
Total energy: -1429.763830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.763830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.963830 (E_RNA)
where:
Base-Base interactions energy: -860.158
where: short stacking energy: -355.284
Base-Backbone interact. energy: 7.684
local terms energy: -368.489622
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -68.499
flat angles C4'-P-C4' energy: -76.686
flat angles P-C4'-P energy: -54.489
tors. eta vs tors. theta energy: -92.738
Dist. restrs. and SS energy: -208.800 (S_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: 166
Temperature: 1.000000
Total energy: -1387.380326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.380326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.780326 (E_RNA)
where:
Base-Base interactions energy: -799.830
where: short stacking energy: -347.136
Base-Backbone interact. energy: -0.022
local terms energy: -376.928774
where:
bonds (distance) C4'-P energy: -67.839
bonds (distance) P-C4' energy: -83.055
flat angles C4'-P-C4' energy: -81.588
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -89.564
Dist. restrs. and SS energy: -210.600 (S_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: 166
Temperature: 1.050000
Total energy: -1310.525273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.525273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.925273 (E_RNA)
where:
Base-Base interactions energy: -766.133
where: short stacking energy: -313.221
Base-Backbone interact. energy: 0.790
local terms energy: -352.581744
where:
bonds (distance) C4'-P energy: -63.615
bonds (distance) P-C4' energy: -64.515
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -52.499
tors. eta vs tors. theta energy: -91.788
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1268.050272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.050272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.650272 (E_RNA)
where:
Base-Base interactions energy: -720.793
where: short stacking energy: -303.451
Base-Backbone interact. energy: -1.628
local terms energy: -333.228652
where:
bonds (distance) C4'-P energy: -78.855
bonds (distance) P-C4' energy: -66.636
flat angles C4'-P-C4' energy: -67.631
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -75.503
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1194.009506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.009506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.409506 (E_RNA)
where:
Base-Base interactions energy: -689.681
where: short stacking energy: -278.057
Base-Backbone interact. energy: -1.699
local terms energy: -301.029706
where:
bonds (distance) C4'-P energy: -59.363
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -74.886
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: -65.522
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1172.086547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.086547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.086547 (E_RNA)
where:
Base-Base interactions energy: -674.080
where: short stacking energy: -257.890
Base-Backbone interact. energy: 0.996
local terms energy: -301.002496
where:
bonds (distance) C4'-P energy: -62.153
bonds (distance) P-C4' energy: -73.130
flat angles C4'-P-C4' energy: -71.498
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -57.534
Dist. restrs. and SS energy: -198.000 (S_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: 166
Temperature: 1.250000
Total energy: -1102.680348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.680348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.080348 (E_RNA)
where:
Base-Base interactions energy: -618.037
where: short stacking energy: -252.639
Base-Backbone interact. energy: -3.914
local terms energy: -288.129396
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -51.022
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -57.497
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1032.940982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.940982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.340982 (E_RNA)
where:
Base-Base interactions energy: -600.366
where: short stacking energy: -227.241
Base-Backbone interact. energy: -0.800
local terms energy: -248.175704
where:
bonds (distance) C4'-P energy: -55.024
bonds (distance) P-C4' energy: -50.269
flat angles C4'-P-C4' energy: -71.005
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -37.775
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -827.449710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.449710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.049710 (E_RNA)
where:
Base-Base interactions energy: -442.510
where: short stacking energy: -175.842
Base-Backbone interact. energy: -1.659
local terms energy: -233.880909
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -39.410
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1468.865332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.865332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.065332 (E_RNA)
where:
Base-Base interactions energy: -897.158
where: short stacking energy: -331.483
Base-Backbone interact. energy: -2.287
local terms energy: -369.620397
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -80.676
flat angles P-C4'-P energy: -58.351
tors. eta vs tors. theta energy: -87.107
Dist. restrs. and SS energy: -199.800 (S_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: 167
Temperature: 0.950000
Total energy: -1439.071000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.071000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.871000 (E_RNA)
where:
Base-Base interactions energy: -861.571
where: short stacking energy: -363.725
Base-Backbone interact. energy: -1.753
local terms energy: -370.546508
where:
bonds (distance) C4'-P energy: -71.042
bonds (distance) P-C4' energy: -62.457
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -106.684
Dist. restrs. and SS energy: -205.200 (S_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: 167
Temperature: 1.000000
Total energy: -1358.949665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.949665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.949665 (E_RNA)
where:
Base-Base interactions energy: -783.725
where: short stacking energy: -319.677
Base-Backbone interact. energy: -0.233
local terms energy: -358.991220
where:
bonds (distance) C4'-P energy: -75.872
bonds (distance) P-C4' energy: -75.214
flat angles C4'-P-C4' energy: -70.025
flat angles P-C4'-P energy: -50.954
tors. eta vs tors. theta energy: -86.926
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1307.071167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.071167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.271167 (E_RNA)
where:
Base-Base interactions energy: -745.555
where: short stacking energy: -318.693
Base-Backbone interact. energy: -2.094
local terms energy: -350.622213
where:
bonds (distance) C4'-P energy: -66.758
bonds (distance) P-C4' energy: -71.162
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: -78.777
Dist. restrs. and SS energy: -208.800 (S_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: 167
Temperature: 1.100000
Total energy: -1297.787502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.787502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.587502 (E_RNA)
where:
Base-Base interactions energy: -768.932
where: short stacking energy: -324.033
Base-Backbone interact. energy: -1.024
local terms energy: -331.631886
where:
bonds (distance) C4'-P energy: -58.649
bonds (distance) P-C4' energy: -54.224
flat angles C4'-P-C4' energy: -76.279
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -87.992
Dist. restrs. and SS energy: -196.200 (S_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: 167
Temperature: 1.150000
Total energy: -1225.545659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.545659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.545659 (E_RNA)
where:
Base-Base interactions energy: -700.442
where: short stacking energy: -284.393
Base-Backbone interact. energy: -0.915
local terms energy: -326.187919
where:
bonds (distance) C4'-P energy: -68.427
bonds (distance) P-C4' energy: -68.322
flat angles C4'-P-C4' energy: -78.435
flat angles P-C4'-P energy: -43.113
tors. eta vs tors. theta energy: -67.892
Dist. restrs. and SS energy: -198.000 (S_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: 167
Temperature: 1.200000
Total energy: -1160.631904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.631904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.031904 (E_RNA)
where:
Base-Base interactions energy: -668.882
where: short stacking energy: -259.909
Base-Backbone interact. energy: -1.909
local terms energy: -288.240493
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -53.376
flat angles C4'-P-C4' energy: -69.110
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -58.635
Dist. restrs. and SS energy: -201.600 (S_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: -1116.419932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.419932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.419932 (E_RNA)
where:
Base-Base interactions energy: -658.200
where: short stacking energy: -269.408
Base-Backbone interact. energy: -1.881
local terms energy: -267.338951
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -62.945
flat angles P-C4'-P energy: -40.734
tors. eta vs tors. theta energy: -61.671
Dist. restrs. and SS energy: -189.000 (S_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: 167
Temperature: 1.300000
Total energy: -1103.313243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.313243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.513243 (E_RNA)
where:
Base-Base interactions energy: -639.889
where: short stacking energy: -263.385
Base-Backbone interact. energy: -1.928
local terms energy: -270.696251
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -59.711
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -67.353
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -798.987530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.987530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.987530 (E_RNA)
where:
Base-Base interactions energy: -435.897
where: short stacking energy: -201.567
Base-Backbone interact. energy: 14.035
local terms energy: -251.125517
where:
bonds (distance) C4'-P energy: -59.584
bonds (distance) P-C4' energy: -60.905
flat angles C4'-P-C4' energy: -64.493
flat angles P-C4'-P energy: -36.501
tors. eta vs tors. theta energy: -29.643
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1477.280866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.280866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.280866 (E_RNA)
where:
Base-Base interactions energy: -928.265
where: short stacking energy: -341.330
Base-Backbone interact. energy: -2.056
local terms energy: -348.960223
where:
bonds (distance) C4'-P energy: -74.932
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -75.533
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -87.773
Dist. restrs. and SS energy: -198.000 (S_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: 168
Temperature: 0.950000
Total energy: -1429.089510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.089510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.289510 (E_RNA)
where:
Base-Base interactions energy: -843.734
where: short stacking energy: -344.070
Base-Backbone interact. energy: -1.479
local terms energy: -375.076083
where:
bonds (distance) C4'-P energy: -70.451
bonds (distance) P-C4' energy: -68.609
flat angles C4'-P-C4' energy: -78.587
flat angles P-C4'-P energy: -60.213
tors. eta vs tors. theta energy: -97.216
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1374.275961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.275961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.275961 (E_RNA)
where:
Base-Base interactions energy: -790.523
where: short stacking energy: -329.625
Base-Backbone interact. energy: -1.125
local terms energy: -366.627794
where:
bonds (distance) C4'-P energy: -82.670
bonds (distance) P-C4' energy: -73.548
flat angles C4'-P-C4' energy: -69.374
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: -97.536
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1328.988161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.788161 (E_RNA)
where:
Base-Base interactions energy: -765.272
where: short stacking energy: -310.667
Base-Backbone interact. energy: 0.093
local terms energy: -349.608614
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -78.518
flat angles C4'-P-C4' energy: -81.563
flat angles P-C4'-P energy: -54.037
tors. eta vs tors. theta energy: -86.737
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1242.380375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.380375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.380375 (E_RNA)
where:
Base-Base interactions energy: -731.070
where: short stacking energy: -282.568
Base-Backbone interact. energy: -4.197
local terms energy: -309.112943
where:
bonds (distance) C4'-P energy: -56.801
bonds (distance) P-C4' energy: -68.394
flat angles C4'-P-C4' energy: -76.856
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -67.066
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1218.486827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.486827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.686827 (E_RNA)
where:
Base-Base interactions energy: -705.660
where: short stacking energy: -300.077
Base-Backbone interact. energy: -4.836
local terms energy: -308.191519
where:
bonds (distance) C4'-P energy: -54.801
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -64.797
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -71.521
Dist. restrs. and SS energy: -199.800 (S_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: 168
Temperature: 1.200000
Total energy: -1187.917399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.917399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.517399 (E_RNA)
where:
Base-Base interactions energy: -678.653
where: short stacking energy: -273.075
Base-Backbone interact. energy: -1.260
local terms energy: -304.603626
where:
bonds (distance) C4'-P energy: -67.195
bonds (distance) P-C4' energy: -69.320
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -44.734
tors. eta vs tors. theta energy: -64.140
Dist. restrs. and SS energy: -203.400 (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: 168
Temperature: 1.250000
Total energy: -1136.548842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.548842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.948842 (E_RNA)
where:
Base-Base interactions energy: -662.993
where: short stacking energy: -267.422
Base-Backbone interact. energy: -0.612
local terms energy: -280.343823
where:
bonds (distance) C4'-P energy: -47.879
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -60.759
Dist. restrs. and SS energy: -192.600 (S_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: 168
Temperature: 1.300000
Total energy: -1094.361094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.161094 (E_RNA)
where:
Base-Base interactions energy: -611.785
where: short stacking energy: -239.766
Base-Backbone interact. energy: -2.658
local terms energy: -292.718530
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -66.858
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -65.201
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -851.853736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.853736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.053736 (E_RNA)
where:
Base-Base interactions energy: -475.066
where: short stacking energy: -209.182
Base-Backbone interact. energy: -2.725
local terms energy: -246.262915
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -57.254
flat angles C4'-P-C4' energy: -65.088
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -30.049
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1481.323925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.323925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.523925 (E_RNA)
where:
Base-Base interactions energy: -911.196
where: short stacking energy: -331.688
Base-Backbone interact. energy: -3.613
local terms energy: -366.714836
where:
bonds (distance) C4'-P energy: -79.254
bonds (distance) P-C4' energy: -78.622
flat angles C4'-P-C4' energy: -75.613
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -90.883
Dist. restrs. and SS energy: -199.800 (S_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: 169
Temperature: 0.950000
Total energy: -1456.330003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.330003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.330003 (E_RNA)
where:
Base-Base interactions energy: -881.769
where: short stacking energy: -355.709
Base-Backbone interact. energy: -1.660
local terms energy: -365.901649
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -78.835
flat angles C4'-P-C4' energy: -73.245
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -96.483
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1372.819149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.819149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.419149 (E_RNA)
where:
Base-Base interactions energy: -797.176
where: short stacking energy: -333.774
Base-Backbone interact. energy: -1.846
local terms energy: -361.397122
where:
bonds (distance) C4'-P energy: -69.290
bonds (distance) P-C4' energy: -68.137
flat angles C4'-P-C4' energy: -78.632
flat angles P-C4'-P energy: -45.181
tors. eta vs tors. theta energy: -100.157
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1305.687330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.687330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.687330 (E_RNA)
where:
Base-Base interactions energy: -762.494
where: short stacking energy: -310.940
Base-Backbone interact. energy: -2.104
local terms energy: -325.088486
where:
bonds (distance) C4'-P energy: -59.707
bonds (distance) P-C4' energy: -73.256
flat angles C4'-P-C4' energy: -73.436
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -76.095
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1254.898251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.898251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.498251 (E_RNA)
where:
Base-Base interactions energy: -733.832
where: short stacking energy: -276.720
Base-Backbone interact. energy: -2.885
local terms energy: -314.780784
where:
bonds (distance) C4'-P energy: -72.398
bonds (distance) P-C4' energy: -58.043
flat angles C4'-P-C4' energy: -74.848
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -65.415
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1187.745223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.745223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.545223 (E_RNA)
where:
Base-Base interactions energy: -666.896
where: short stacking energy: -275.996
Base-Backbone interact. energy: -1.320
local terms energy: -314.329341
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -63.177
flat angles C4'-P-C4' energy: -72.001
flat angles P-C4'-P energy: -46.079
tors. eta vs tors. theta energy: -75.465
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1180.508399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.508399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.308399 (E_RNA)
where:
Base-Base interactions energy: -683.450
where: short stacking energy: -282.435
Base-Backbone interact. energy: 0.458
local terms energy: -301.316361
where:
bonds (distance) C4'-P energy: -63.045
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -67.865
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1145.180785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.180785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.780785 (E_RNA)
where:
Base-Base interactions energy: -655.448
where: short stacking energy: -253.810
Base-Backbone interact. energy: -1.111
local terms energy: -285.221726
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -67.889
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -66.103
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1061.898551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.898551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.098551 (E_RNA)
where:
Base-Base interactions energy: -596.287
where: short stacking energy: -231.931
Base-Backbone interact. energy: -1.140
local terms energy: -273.671532
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -60.814
flat angles C4'-P-C4' energy: -67.987
flat angles P-C4'-P energy: -39.473
tors. eta vs tors. theta energy: -56.666
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -894.658848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.658848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.458848 (E_RNA)
where:
Base-Base interactions energy: -492.402
where: short stacking energy: -180.638
Base-Backbone interact. energy: 1.940
local terms energy: -252.997167
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -66.965
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: -151.200 (S_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: 170
Temperature: 0.900000
Total energy: -1456.302923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.302923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.502923 (E_RNA)
where:
Base-Base interactions energy: -858.124
where: short stacking energy: -363.575
Base-Backbone interact. energy: -1.157
local terms energy: -388.221772
where:
bonds (distance) C4'-P energy: -71.774
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -84.281
flat angles P-C4'-P energy: -54.238
tors. eta vs tors. theta energy: -107.783
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1451.781837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.781837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.781837 (E_RNA)
where:
Base-Base interactions energy: -901.450
where: short stacking energy: -341.769
Base-Backbone interact. energy: -1.248
local terms energy: -351.083511
where:
bonds (distance) C4'-P energy: -64.129
bonds (distance) P-C4' energy: -72.293
flat angles C4'-P-C4' energy: -76.743
flat angles P-C4'-P energy: -51.934
tors. eta vs tors. theta energy: -85.985
Dist. restrs. and SS energy: -198.000 (S_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: 170
Temperature: 1.000000
Total energy: -1388.103374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.103374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.103374 (E_RNA)
where:
Base-Base interactions energy: -809.321
where: short stacking energy: -343.622
Base-Backbone interact. energy: -1.035
local terms energy: -361.746975
where:
bonds (distance) C4'-P energy: -73.863
bonds (distance) P-C4' energy: -74.823
flat angles C4'-P-C4' energy: -71.579
flat angles P-C4'-P energy: -53.086
tors. eta vs tors. theta energy: -88.396
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1309.663177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.663177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.463177 (E_RNA)
where:
Base-Base interactions energy: -754.733
where: short stacking energy: -309.813
Base-Backbone interact. energy: -3.209
local terms energy: -337.521185
where:
bonds (distance) C4'-P energy: -60.625
bonds (distance) P-C4' energy: -73.640
flat angles C4'-P-C4' energy: -76.330
flat angles P-C4'-P energy: -53.433
tors. eta vs tors. theta energy: -73.494
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1260.309110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.309110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.509110 (E_RNA)
where:
Base-Base interactions energy: -747.182
where: short stacking energy: -315.066
Base-Backbone interact. energy: 0.914
local terms energy: -314.240855
where:
bonds (distance) C4'-P energy: -64.354
bonds (distance) P-C4' energy: -58.787
flat angles C4'-P-C4' energy: -73.100
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -76.989
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1195.126201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.126201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.726201 (E_RNA)
where:
Base-Base interactions energy: -666.862
where: short stacking energy: -270.495
Base-Backbone interact. energy: -2.572
local terms energy: -322.291940
where:
bonds (distance) C4'-P energy: -63.683
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -79.630
flat angles P-C4'-P energy: -50.691
tors. eta vs tors. theta energy: -71.732
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1173.471928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.471928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.671928 (E_RNA)
where:
Base-Base interactions energy: -671.683
where: short stacking energy: -280.076
Base-Backbone interact. energy: 2.813
local terms energy: -304.802604
where:
bonds (distance) C4'-P energy: -48.768
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -52.173
tors. eta vs tors. theta energy: -69.580
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1152.525297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.525297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.525297 (E_RNA)
where:
Base-Base interactions energy: -660.485
where: short stacking energy: -268.903
Base-Backbone interact. energy: -1.282
local terms energy: -292.758273
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -71.872
flat angles C4'-P-C4' energy: -68.070
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1095.299414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.299414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.099414 (E_RNA)
where:
Base-Base interactions energy: -634.155
where: short stacking energy: -260.682
Base-Backbone interact. energy: -0.835
local terms energy: -282.109014
where:
bonds (distance) C4'-P energy: -60.314
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -58.114
flat angles P-C4'-P energy: -34.497
tors. eta vs tors. theta energy: -74.079
Dist. restrs. and SS energy: -178.200 (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: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -889.690613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.690613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.490613 (E_RNA)
where:
Base-Base interactions energy: -488.198
where: short stacking energy: -200.470
Base-Backbone interact. energy: 0.748
local terms energy: -251.040440
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -66.742
flat angles C4'-P-C4' energy: -54.977
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -37.686
Dist. restrs. and SS energy: -151.200 (S_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: 171
Temperature: 0.900000
Total energy: -1465.512882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.512882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.512882 (E_RNA)
where:
Base-Base interactions energy: -864.531
where: short stacking energy: -369.078
Base-Backbone interact. energy: -2.277
local terms energy: -391.705162
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -77.790
flat angles C4'-P-C4' energy: -91.520
flat angles P-C4'-P energy: -54.320
tors. eta vs tors. theta energy: -102.350
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1454.119022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.119022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.319022 (E_RNA)
where:
Base-Base interactions energy: -906.791
where: short stacking energy: -347.568
Base-Backbone interact. energy: 0.840
local terms energy: -348.367709
where:
bonds (distance) C4'-P energy: -64.925
bonds (distance) P-C4' energy: -62.106
flat angles C4'-P-C4' energy: -83.752
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: -86.883
Dist. restrs. and SS energy: -199.800 (S_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: 171
Temperature: 1.000000
Total energy: -1349.374772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.374772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.374772 (E_RNA)
where:
Base-Base interactions energy: -775.737
where: short stacking energy: -335.741
Base-Backbone interact. energy: -1.760
local terms energy: -355.877677
where:
bonds (distance) C4'-P energy: -59.338
bonds (distance) P-C4' energy: -75.853
flat angles C4'-P-C4' energy: -80.278
flat angles P-C4'-P energy: -54.218
tors. eta vs tors. theta energy: -86.191
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1289.993562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.993562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.793562 (E_RNA)
where:
Base-Base interactions energy: -733.838
where: short stacking energy: -302.069
Base-Backbone interact. energy: 0.050
local terms energy: -342.006455
where:
bonds (distance) C4'-P energy: -67.177
bonds (distance) P-C4' energy: -75.242
flat angles C4'-P-C4' energy: -78.222
flat angles P-C4'-P energy: -47.781
tors. eta vs tors. theta energy: -73.585
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1256.482844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.482844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.882844 (E_RNA)
where:
Base-Base interactions energy: -730.519
where: short stacking energy: -302.249
Base-Backbone interact. energy: 3.322
local terms energy: -327.686226
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -67.250
flat angles C4'-P-C4' energy: -73.363
flat angles P-C4'-P energy: -52.479
tors. eta vs tors. theta energy: -75.475
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1198.736684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.736684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.136684 (E_RNA)
where:
Base-Base interactions energy: -681.250
where: short stacking energy: -264.546
Base-Backbone interact. energy: -1.700
local terms energy: -314.186242
where:
bonds (distance) C4'-P energy: -72.781
bonds (distance) P-C4' energy: -64.527
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: -69.512
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1169.397595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.397595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.397595 (E_RNA)
where:
Base-Base interactions energy: -671.326
where: short stacking energy: -264.421
Base-Backbone interact. energy: -0.914
local terms energy: -299.158104
where:
bonds (distance) C4'-P energy: -59.167
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -63.841
Dist. restrs. and SS energy: -198.000 (S_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: 171
Temperature: 1.250000
Total energy: -1160.171260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.171260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.771260 (E_RNA)
where:
Base-Base interactions energy: -656.693
where: short stacking energy: -250.656
Base-Backbone interact. energy: 5.448
local terms energy: -305.526986
where:
bonds (distance) C4'-P energy: -45.834
bonds (distance) P-C4' energy: -71.673
flat angles C4'-P-C4' energy: -75.048
flat angles P-C4'-P energy: -46.664
tors. eta vs tors. theta energy: -66.308
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1104.295815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.295815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.695815 (E_RNA)
where:
Base-Base interactions energy: -611.374
where: short stacking energy: -253.951
Base-Backbone interact. energy: -2.004
local terms energy: -298.317901
where:
bonds (distance) C4'-P energy: -36.860
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -61.008
tors. eta vs tors. theta energy: -74.705
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. 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: -902.872163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.872163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.872163 (E_RNA)
where:
Base-Base interactions energy: -515.729
where: short stacking energy: -223.513
Base-Backbone interact. energy: 4.006
local terms energy: -238.148581
where:
bonds (distance) C4'-P energy: -64.234
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -43.620
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -47.397
Dist. restrs. and SS energy: -153.000 (S_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: 172
Temperature: 0.900000
Total energy: -1457.540633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.540633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.740633 (E_RNA)
where:
Base-Base interactions energy: -864.645
where: short stacking energy: -354.750
Base-Backbone interact. energy: -2.911
local terms energy: -381.185462
where:
bonds (distance) C4'-P energy: -73.533
bonds (distance) P-C4' energy: -68.124
flat angles C4'-P-C4' energy: -89.820
flat angles P-C4'-P energy: -48.562
tors. eta vs tors. theta energy: -101.146
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1455.960066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.960066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.560066 (E_RNA)
where:
Base-Base interactions energy: -907.615
where: short stacking energy: -351.859
Base-Backbone interact. energy: -2.427
local terms energy: -351.517961
where:
bonds (distance) C4'-P energy: -57.397
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -71.414
flat angles P-C4'-P energy: -63.139
tors. eta vs tors. theta energy: -84.997
Dist. restrs. and SS energy: -194.400 (S_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: 172
Temperature: 1.000000
Total energy: -1368.333118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.333118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.933118 (E_RNA)
where:
Base-Base interactions energy: -797.977
where: short stacking energy: -361.944
Base-Backbone interact. energy: -0.552
local terms energy: -357.403728
where:
bonds (distance) C4'-P energy: -62.161
bonds (distance) P-C4' energy: -60.416
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -57.915
tors. eta vs tors. theta energy: -99.845
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1298.955876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.955876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.755876 (E_RNA)
where:
Base-Base interactions energy: -768.441
where: short stacking energy: -312.607
Base-Backbone interact. energy: -1.019
local terms energy: -315.295223
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -65.719
flat angles P-C4'-P energy: -46.215
tors. eta vs tors. theta energy: -75.739
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1282.406043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.406043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.406043 (E_RNA)
where:
Base-Base interactions energy: -762.843
where: short stacking energy: -312.118
Base-Backbone interact. energy: -1.504
local terms energy: -320.059048
where:
bonds (distance) C4'-P energy: -51.534
bonds (distance) P-C4' energy: -69.973
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -38.710
tors. eta vs tors. theta energy: -86.024
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1197.394606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.394606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.994606 (E_RNA)
where:
Base-Base interactions energy: -680.018
where: short stacking energy: -286.682
Base-Backbone interact. energy: 2.758
local terms energy: -316.734634
where:
bonds (distance) C4'-P energy: -60.884
bonds (distance) P-C4' energy: -60.523
flat angles C4'-P-C4' energy: -67.269
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -82.565
Dist. restrs. and SS energy: -203.400 (S_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: 172
Temperature: 1.200000
Total energy: -1192.437304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.437304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.037304 (E_RNA)
where:
Base-Base interactions energy: -696.563
where: short stacking energy: -272.091
Base-Backbone interact. energy: -0.801
local terms energy: -291.673090
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -67.127
flat angles C4'-P-C4' energy: -59.954
flat angles P-C4'-P energy: -36.311
tors. eta vs tors. theta energy: -76.074
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1164.863340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.863340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.463340 (E_RNA)
where:
Base-Base interactions energy: -681.563
where: short stacking energy: -272.391
Base-Backbone interact. energy: -1.265
local terms energy: -287.635937
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -75.629
flat angles C4'-P-C4' energy: -64.999
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -65.721
Dist. restrs. and SS energy: -194.400 (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: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1141.782276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.782276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.182276 (E_RNA)
where:
Base-Base interactions energy: -668.277
where: short stacking energy: -250.724
Base-Backbone interact. energy: -2.320
local terms energy: -269.585626
where:
bonds (distance) C4'-P energy: -68.575
bonds (distance) P-C4' energy: -62.297
flat angles C4'-P-C4' energy: -54.031
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -50.811
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -947.162835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.162835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.762835 (E_RNA)
where:
Base-Base interactions energy: -521.720
where: short stacking energy: -213.011
Base-Backbone interact. energy: 1.599
local terms energy: -259.642446
where:
bonds (distance) C4'-P energy: -59.983
bonds (distance) P-C4' energy: -62.954
flat angles C4'-P-C4' energy: -63.782
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -48.896
Dist. restrs. and SS energy: -167.400 (S_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: 173
Temperature: 0.900000
Total energy: -1458.913303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.913303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.113303 (E_RNA)
where:
Base-Base interactions energy: -875.329
where: short stacking energy: -372.032
Base-Backbone interact. energy: -1.112
local terms energy: -373.672935
where:
bonds (distance) C4'-P energy: -67.104
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -83.724
flat angles P-C4'-P energy: -53.589
tors. eta vs tors. theta energy: -100.625
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1454.207489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.207489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.607489 (E_RNA)
where:
Base-Base interactions energy: -884.904
where: short stacking energy: -337.847
Base-Backbone interact. energy: -2.155
local terms energy: -365.547794
where:
bonds (distance) C4'-P energy: -66.183
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -79.595
flat angles P-C4'-P energy: -54.663
tors. eta vs tors. theta energy: -87.271
Dist. restrs. and SS energy: -201.600 (S_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: 173
Temperature: 1.000000
Total energy: -1351.075777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.075777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.075777 (E_RNA)
where:
Base-Base interactions energy: -781.609
where: short stacking energy: -329.526
Base-Backbone interact. energy: -0.246
local terms energy: -362.220705
where:
bonds (distance) C4'-P energy: -68.542
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -76.314
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -94.102
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1282.169157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.169157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.969157 (E_RNA)
where:
Base-Base interactions energy: -749.412
where: short stacking energy: -294.090
Base-Backbone interact. energy: -3.256
local terms energy: -315.301380
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -65.766
flat angles C4'-P-C4' energy: -71.071
flat angles P-C4'-P energy: -44.157
tors. eta vs tors. theta energy: -71.750
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1265.348842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.348842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.748842 (E_RNA)
where:
Base-Base interactions energy: -733.731
where: short stacking energy: -302.324
Base-Backbone interact. energy: -2.788
local terms energy: -327.230071
where:
bonds (distance) C4'-P energy: -70.130
bonds (distance) P-C4' energy: -65.075
flat angles C4'-P-C4' energy: -75.608
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -80.345
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1187.829417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.829417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.229417 (E_RNA)
where:
Base-Base interactions energy: -670.730
where: short stacking energy: -282.748
Base-Backbone interact. energy: -1.702
local terms energy: -313.798001
where:
bonds (distance) C4'-P energy: -56.402
bonds (distance) P-C4' energy: -71.324
flat angles C4'-P-C4' energy: -71.836
flat angles P-C4'-P energy: -42.927
tors. eta vs tors. theta energy: -71.309
Dist. restrs. and SS energy: -201.600 (S_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: 173
Temperature: 1.200000
Total energy: -1184.482294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.482294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.882294 (E_RNA)
where:
Base-Base interactions energy: -661.891
where: short stacking energy: -281.139
Base-Backbone interact. energy: -1.406
local terms energy: -319.584895
where:
bonds (distance) C4'-P energy: -67.950
bonds (distance) P-C4' energy: -64.237
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -48.961
tors. eta vs tors. theta energy: -73.588
Dist. restrs. and SS energy: -201.600 (S_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: 173
Temperature: 1.250000
Total energy: -1163.333721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.333721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.933721 (E_RNA)
where:
Base-Base interactions energy: -660.793
where: short stacking energy: -261.524
Base-Backbone interact. energy: -2.760
local terms energy: -296.380699
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -70.294
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -36.423
tors. eta vs tors. theta energy: -69.697
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1101.939090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.939090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.339090 (E_RNA)
where:
Base-Base interactions energy: -642.562
where: short stacking energy: -260.478
Base-Backbone interact. energy: 0.203
local terms energy: -266.980166
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -45.100
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -65.114
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -963.714926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.714926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.914926 (E_RNA)
where:
Base-Base interactions energy: -552.397
where: short stacking energy: -227.929
Base-Backbone interact. energy: 3.910
local terms energy: -251.428056
where:
bonds (distance) C4'-P energy: -52.217
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -63.563
flat angles P-C4'-P energy: -40.539
tors. eta vs tors. theta energy: -44.635
Dist. restrs. and SS energy: -163.800 (S_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: 174
Temperature: 0.900000
Total energy: -1486.744488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.744488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.944488 (E_RNA)
where:
Base-Base interactions energy: -869.693
where: short stacking energy: -375.964
Base-Backbone interact. energy: -1.135
local terms energy: -407.116974
where:
bonds (distance) C4'-P energy: -68.592
bonds (distance) P-C4' energy: -82.710
flat angles C4'-P-C4' energy: -88.000
flat angles P-C4'-P energy: -60.056
tors. eta vs tors. theta energy: -107.758
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1453.178320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.178320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.578320 (E_RNA)
where:
Base-Base interactions energy: -893.071
where: short stacking energy: -332.576
Base-Backbone interact. energy: 4.559
local terms energy: -363.066480
where:
bonds (distance) C4'-P energy: -69.686
bonds (distance) P-C4' energy: -80.846
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -50.684
tors. eta vs tors. theta energy: -81.734
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1327.186653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.186653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.786653 (E_RNA)
where:
Base-Base interactions energy: -779.062
where: short stacking energy: -311.414
Base-Backbone interact. energy: -3.872
local terms energy: -331.853222
where:
bonds (distance) C4'-P energy: -58.336
bonds (distance) P-C4' energy: -70.100
flat angles C4'-P-C4' energy: -74.764
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: -82.669
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1319.226326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.226326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.226326 (E_RNA)
where:
Base-Base interactions energy: -774.696
where: short stacking energy: -318.545
Base-Backbone interact. energy: 0.404
local terms energy: -328.934013
where:
bonds (distance) C4'-P energy: -49.979
bonds (distance) P-C4' energy: -71.786
flat angles C4'-P-C4' energy: -72.449
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: -88.609
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1301.987501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.987501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.187501 (E_RNA)
where:
Base-Base interactions energy: -773.865
where: short stacking energy: -309.821
Base-Backbone interact. energy: 0.761
local terms energy: -329.083508
where:
bonds (distance) C4'-P energy: -64.179
bonds (distance) P-C4' energy: -57.326
flat angles C4'-P-C4' energy: -71.885
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: -88.994
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1170.710983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.710983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.510983 (E_RNA)
where:
Base-Base interactions energy: -655.412
where: short stacking energy: -267.762
Base-Backbone interact. energy: -1.587
local terms energy: -308.511705
where:
bonds (distance) C4'-P energy: -63.522
bonds (distance) P-C4' energy: -63.518
flat angles C4'-P-C4' energy: -68.320
flat angles P-C4'-P energy: -48.070
tors. eta vs tors. theta energy: -65.081
Dist. restrs. and SS energy: -205.200 (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: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1261.824902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.824902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.624902 (E_RNA)
where:
Base-Base interactions energy: -735.159
where: short stacking energy: -304.771
Base-Backbone interact. energy: -1.089
local terms energy: -320.377028
where:
bonds (distance) C4'-P energy: -54.280
bonds (distance) P-C4' energy: -62.428
flat angles C4'-P-C4' energy: -77.339
flat angles P-C4'-P energy: -44.362
tors. eta vs tors. theta energy: -81.969
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1176.086927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.086927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.686927 (E_RNA)
where:
Base-Base interactions energy: -671.487
where: short stacking energy: -257.538
Base-Backbone interact. energy: -0.923
local terms energy: -309.277552
where:
bonds (distance) C4'-P energy: -63.772
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -70.112
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -56.381
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1124.718175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.718175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.918175 (E_RNA)
where:
Base-Base interactions energy: -655.238
where: short stacking energy: -254.124
Base-Backbone interact. energy: 2.562
local terms energy: -272.242663
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -48.525
flat angles C4'-P-C4' energy: -73.778
flat angles P-C4'-P energy: -32.933
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -990.179427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.179427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.579427 (E_RNA)
where:
Base-Base interactions energy: -558.085
where: short stacking energy: -226.137
Base-Backbone interact. energy: -2.500
local terms energy: -263.994413
where:
bonds (distance) C4'-P energy: -65.223
bonds (distance) P-C4' energy: -62.518
flat angles C4'-P-C4' energy: -42.239
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -49.805
Dist. restrs. and SS energy: -165.600 (S_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: 175
Temperature: 0.900000
Total energy: -1450.519527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.519527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.519527 (E_RNA)
where:
Base-Base interactions energy: -866.242
where: short stacking energy: -365.118
Base-Backbone interact. energy: -2.293
local terms energy: -374.983847
where:
bonds (distance) C4'-P energy: -69.148
bonds (distance) P-C4' energy: -73.966
flat angles C4'-P-C4' energy: -79.400
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -102.374
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1438.966311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.966311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.366311 (E_RNA)
where:
Base-Base interactions energy: -869.998
where: short stacking energy: -336.353
Base-Backbone interact. energy: -1.699
local terms energy: -365.670197
where:
bonds (distance) C4'-P energy: -65.880
bonds (distance) P-C4' energy: -70.647
flat angles C4'-P-C4' energy: -77.346
flat angles P-C4'-P energy: -65.699
tors. eta vs tors. theta energy: -86.098
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1321.622646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.622646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.422646 (E_RNA)
where:
Base-Base interactions energy: -771.194
where: short stacking energy: -298.468
Base-Backbone interact. energy: -2.498
local terms energy: -333.730877
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -60.702
flat angles C4'-P-C4' energy: -76.920
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -76.089
Dist. restrs. and SS energy: -214.200 (S_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: -1341.420873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.420873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.420873 (E_RNA)
where:
Base-Base interactions energy: -784.538
where: short stacking energy: -320.393
Base-Backbone interact. energy: -1.924
local terms energy: -338.959236
where:
bonds (distance) C4'-P energy: -69.010
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -76.377
flat angles P-C4'-P energy: -48.514
tors. eta vs tors. theta energy: -81.166
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1279.012876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.012876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.812876 (E_RNA)
where:
Base-Base interactions energy: -757.390
where: short stacking energy: -307.054
Base-Backbone interact. energy: 0.785
local terms energy: -326.208019
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -73.735
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -70.901
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1279.927505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.927505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.327505 (E_RNA)
where:
Base-Base interactions energy: -746.472
where: short stacking energy: -301.396
Base-Backbone interact. energy: 0.858
local terms energy: -332.713668
where:
bonds (distance) C4'-P energy: -64.026
bonds (distance) P-C4' energy: -63.842
flat angles C4'-P-C4' energy: -69.853
flat angles P-C4'-P energy: -54.226
tors. eta vs tors. theta energy: -80.767
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1145.575035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.575035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.175035 (E_RNA)
where:
Base-Base interactions energy: -632.343
where: short stacking energy: -249.980
Base-Backbone interact. energy: -2.772
local terms energy: -307.059761
where:
bonds (distance) C4'-P energy: -67.286
bonds (distance) P-C4' energy: -64.209
flat angles C4'-P-C4' energy: -71.271
flat angles P-C4'-P energy: -46.780
tors. eta vs tors. theta energy: -57.513
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1122.684923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.684923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.484923 (E_RNA)
where:
Base-Base interactions energy: -647.215
where: short stacking energy: -237.333
Base-Backbone interact. energy: 2.848
local terms energy: -282.118110
where:
bonds (distance) C4'-P energy: -56.995
bonds (distance) P-C4' energy: -64.458
flat angles C4'-P-C4' energy: -61.006
flat angles P-C4'-P energy: -44.990
tors. eta vs tors. theta energy: -54.670
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1137.521644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.521644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.521644 (E_RNA)
where:
Base-Base interactions energy: -640.469
where: short stacking energy: -259.293
Base-Backbone interact. energy: -2.043
local terms energy: -297.010262
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -69.498
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -917.336360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.336360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.336360 (E_RNA)
where:
Base-Base interactions energy: -509.867
where: short stacking energy: -200.524
Base-Backbone interact. energy: 1.647
local terms energy: -238.116260
where:
bonds (distance) C4'-P energy: -61.347
bonds (distance) P-C4' energy: -47.725
flat angles C4'-P-C4' energy: -63.261
flat angles P-C4'-P energy: -32.179
tors. eta vs tors. theta energy: -33.605
Dist. restrs. and SS energy: -171.000 (S_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: 176
Temperature: 0.900000
Total energy: -1458.567035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.567035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.767035 (E_RNA)
where:
Base-Base interactions energy: -863.724
where: short stacking energy: -339.745
Base-Backbone interact. energy: -3.920
local terms energy: -382.122878
where:
bonds (distance) C4'-P energy: -72.371
bonds (distance) P-C4' energy: -72.938
flat angles C4'-P-C4' energy: -84.067
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -97.441
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1430.779998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.779998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.179998 (E_RNA)
where:
Base-Base interactions energy: -871.952
where: short stacking energy: -362.700
Base-Backbone interact. energy: -1.233
local terms energy: -355.994591
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -81.142
flat angles P-C4'-P energy: -48.907
tors. eta vs tors. theta energy: -92.884
Dist. restrs. and SS energy: -201.600 (S_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: -1373.746720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.746720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.346720 (E_RNA)
where:
Base-Base interactions energy: -806.256
where: short stacking energy: -335.425
Base-Backbone interact. energy: -2.215
local terms energy: -352.875474
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -74.880
flat angles C4'-P-C4' energy: -73.908
flat angles P-C4'-P energy: -44.046
tors. eta vs tors. theta energy: -87.233
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1335.497659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.497659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.697659 (E_RNA)
where:
Base-Base interactions energy: -782.163
where: short stacking energy: -313.034
Base-Backbone interact. energy: 1.081
local terms energy: -336.616557
where:
bonds (distance) C4'-P energy: -63.260
bonds (distance) P-C4' energy: -66.023
flat angles C4'-P-C4' energy: -73.538
flat angles P-C4'-P energy: -48.947
tors. eta vs tors. theta energy: -84.849
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1291.480280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.480280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.880280 (E_RNA)
where:
Base-Base interactions energy: -762.550
where: short stacking energy: -318.911
Base-Backbone interact. energy: 0.195
local terms energy: -327.524714
where:
bonds (distance) C4'-P energy: -64.021
bonds (distance) P-C4' energy: -60.702
flat angles C4'-P-C4' energy: -76.721
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -82.044
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1272.070261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.070261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.870261 (E_RNA)
where:
Base-Base interactions energy: -739.458
where: short stacking energy: -293.329
Base-Backbone interact. energy: -1.719
local terms energy: -325.692917
where:
bonds (distance) C4'-P energy: -70.200
bonds (distance) P-C4' energy: -66.460
flat angles C4'-P-C4' energy: -72.152
flat angles P-C4'-P energy: -47.660
tors. eta vs tors. theta energy: -69.221
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1152.537173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.537173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.337173 (E_RNA)
where:
Base-Base interactions energy: -663.105
where: short stacking energy: -266.490
Base-Backbone interact. energy: -2.818
local terms energy: -290.414464
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -63.921
flat angles C4'-P-C4' energy: -66.062
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -65.631
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1123.835776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.835776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.435776 (E_RNA)
where:
Base-Base interactions energy: -633.884
where: short stacking energy: -253.790
Base-Backbone interact. energy: -1.917
local terms energy: -293.634611
where:
bonds (distance) C4'-P energy: -68.167
bonds (distance) P-C4' energy: -50.522
flat angles C4'-P-C4' energy: -71.060
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -66.795
Dist. restrs. and SS energy: -194.400 (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: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1141.308470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.308470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.508470 (E_RNA)
where:
Base-Base interactions energy: -672.852
where: short stacking energy: -260.949
Base-Backbone interact. energy: -2.177
local terms energy: -266.479304
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -59.795
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -62.717
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -921.732272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.732272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.532272 (E_RNA)
where:
Base-Base interactions energy: -537.894
where: short stacking energy: -211.844
Base-Backbone interact. energy: 1.237
local terms energy: -224.875146
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -50.434
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -42.155
Dist. restrs. and SS energy: -160.200 (S_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: 177
Temperature: 0.900000
Total energy: -1460.405670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.405670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.405670 (E_RNA)
where:
Base-Base interactions energy: -888.911
where: short stacking energy: -351.131
Base-Backbone interact. energy: 0.147
local terms energy: -364.641642
where:
bonds (distance) C4'-P energy: -59.869
bonds (distance) P-C4' energy: -62.461
flat angles C4'-P-C4' energy: -87.049
flat angles P-C4'-P energy: -57.166
tors. eta vs tors. theta energy: -98.097
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1428.302302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.302302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.502302 (E_RNA)
where:
Base-Base interactions energy: -856.218
where: short stacking energy: -337.051
Base-Backbone interact. energy: -0.230
local terms energy: -372.054572
where:
bonds (distance) C4'-P energy: -75.683
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -78.796
flat angles P-C4'-P energy: -55.757
tors. eta vs tors. theta energy: -94.966
Dist. restrs. and SS energy: -199.800 (S_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: 177
Temperature: 1.000000
Total energy: -1354.917545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.917545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.317545 (E_RNA)
where:
Base-Base interactions energy: -798.014
where: short stacking energy: -317.389
Base-Backbone interact. energy: -2.534
local terms energy: -343.768970
where:
bonds (distance) C4'-P energy: -62.472
bonds (distance) P-C4' energy: -63.118
flat angles C4'-P-C4' energy: -75.350
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -84.166
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1279.432237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.432237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.232237 (E_RNA)
where:
Base-Base interactions energy: -733.202
where: short stacking energy: -287.778
Base-Backbone interact. energy: -1.393
local terms energy: -330.636644
where:
bonds (distance) C4'-P energy: -72.485
bonds (distance) P-C4' energy: -69.520
flat angles C4'-P-C4' energy: -76.678
flat angles P-C4'-P energy: -40.042
tors. eta vs tors. theta energy: -71.911
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1249.060619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.060619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.660619 (E_RNA)
where:
Base-Base interactions energy: -731.147
where: short stacking energy: -295.764
Base-Backbone interact. energy: -2.563
local terms energy: -320.950938
where:
bonds (distance) C4'-P energy: -66.349
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -73.609
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -77.004
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1272.423539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.423539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.823539 (E_RNA)
where:
Base-Base interactions energy: -742.699
where: short stacking energy: -302.569
Base-Backbone interact. energy: -1.657
local terms energy: -326.467950
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -69.570
flat angles C4'-P-C4' energy: -75.294
flat angles P-C4'-P energy: -44.309
tors. eta vs tors. theta energy: -77.491
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1159.974017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.974017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.174017 (E_RNA)
where:
Base-Base interactions energy: -675.881
where: short stacking energy: -263.623
Base-Backbone interact. energy: 4.371
local terms energy: -288.664675
where:
bonds (distance) C4'-P energy: -75.157
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -63.476
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -55.220
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1159.807805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.807805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.607805 (E_RNA)
where:
Base-Base interactions energy: -662.260
where: short stacking energy: -277.185
Base-Backbone interact. energy: 0.305
local terms energy: -292.653517
where:
bonds (distance) C4'-P energy: -62.002
bonds (distance) P-C4' energy: -59.340
flat angles C4'-P-C4' energy: -64.602
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -65.225
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1057.912085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.912085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.912085 (E_RNA)
where:
Base-Base interactions energy: -594.878
where: short stacking energy: -219.774
Base-Backbone interact. energy: 3.977
local terms energy: -269.010739
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -65.912
flat angles C4'-P-C4' energy: -63.032
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -42.814
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -885.960565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.960565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.360565 (E_RNA)
where:
Base-Base interactions energy: -496.667
where: short stacking energy: -187.298
Base-Backbone interact. energy: -2.181
local terms energy: -230.512547
where:
bonds (distance) C4'-P energy: -41.925
bonds (distance) P-C4' energy: -52.283
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -34.072
Dist. restrs. and SS energy: -156.600 (S_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: 178
Temperature: 0.900000
Total energy: -1479.555217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.555217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.755217 (E_RNA)
where:
Base-Base interactions energy: -888.046
where: short stacking energy: -361.914
Base-Backbone interact. energy: 0.890
local terms energy: -383.598632
where:
bonds (distance) C4'-P energy: -67.244
bonds (distance) P-C4' energy: -76.665
flat angles C4'-P-C4' energy: -84.416
flat angles P-C4'-P energy: -53.241
tors. eta vs tors. theta energy: -102.033
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1419.195131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.195131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.195131 (E_RNA)
where:
Base-Base interactions energy: -859.397
where: short stacking energy: -320.231
Base-Backbone interact. energy: -4.291
local terms energy: -357.507014
where:
bonds (distance) C4'-P energy: -60.498
bonds (distance) P-C4' energy: -81.033
flat angles C4'-P-C4' energy: -81.883
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -87.786
Dist. restrs. and SS energy: -198.000 (S_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: 178
Temperature: 1.000000
Total energy: -1350.984980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.984980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.784980 (E_RNA)
where:
Base-Base interactions energy: -795.703
where: short stacking energy: -316.847
Base-Backbone interact. energy: -1.976
local terms energy: -339.105524
where:
bonds (distance) C4'-P energy: -60.309
bonds (distance) P-C4' energy: -76.232
flat angles C4'-P-C4' energy: -75.053
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: -83.750
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1306.717131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.717131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.717131 (E_RNA)
where:
Base-Base interactions energy: -774.401
where: short stacking energy: -300.260
Base-Backbone interact. energy: -2.104
local terms energy: -314.212002
where:
bonds (distance) C4'-P energy: -55.636
bonds (distance) P-C4' energy: -72.850
flat angles C4'-P-C4' energy: -73.193
flat angles P-C4'-P energy: -41.937
tors. eta vs tors. theta energy: -70.597
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1248.929134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.929134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.529134 (E_RNA)
where:
Base-Base interactions energy: -728.947
where: short stacking energy: -300.216
Base-Backbone interact. energy: -0.513
local terms energy: -325.068611
where:
bonds (distance) C4'-P energy: -70.796
bonds (distance) P-C4' energy: -59.342
flat angles C4'-P-C4' energy: -68.630
flat angles P-C4'-P energy: -40.805
tors. eta vs tors. theta energy: -85.495
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1260.250149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.250149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.250149 (E_RNA)
where:
Base-Base interactions energy: -734.347
where: short stacking energy: -280.987
Base-Backbone interact. energy: 3.996
local terms energy: -322.899021
where:
bonds (distance) C4'-P energy: -54.611
bonds (distance) P-C4' energy: -72.439
flat angles C4'-P-C4' energy: -70.626
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -74.451
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1147.488183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.488183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.088183 (E_RNA)
where:
Base-Base interactions energy: -661.162
where: short stacking energy: -261.208
Base-Backbone interact. energy: -3.910
local terms energy: -288.016155
where:
bonds (distance) C4'-P energy: -59.967
bonds (distance) P-C4' energy: -65.285
flat angles C4'-P-C4' energy: -63.641
flat angles P-C4'-P energy: -40.556
tors. eta vs tors. theta energy: -58.568
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1108.733931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.733931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.533931 (E_RNA)
where:
Base-Base interactions energy: -632.483
where: short stacking energy: -246.943
Base-Backbone interact. energy: 3.037
local terms energy: -283.087567
where:
bonds (distance) C4'-P energy: -52.902
bonds (distance) P-C4' energy: -58.931
flat angles C4'-P-C4' energy: -71.453
flat angles P-C4'-P energy: -45.474
tors. eta vs tors. theta energy: -54.329
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1076.252590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.252590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.052590 (E_RNA)
where:
Base-Base interactions energy: -601.088
where: short stacking energy: -223.513
Base-Backbone interact. energy: -2.799
local terms energy: -276.165706
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -64.838
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -54.076
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -915.763556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.763556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.563556 (E_RNA)
where:
Base-Base interactions energy: -492.742
where: short stacking energy: -206.686
Base-Backbone interact. energy: 4.387
local terms energy: -258.208378
where:
bonds (distance) C4'-P energy: -58.265
bonds (distance) P-C4' energy: -75.015
flat angles C4'-P-C4' energy: -44.603
flat angles P-C4'-P energy: -43.829
tors. eta vs tors. theta energy: -36.497
Dist. restrs. and SS energy: -169.200 (S_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: 179
Temperature: 0.900000
Total energy: -1464.952097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.952097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.952097 (E_RNA)
where:
Base-Base interactions energy: -866.023
where: short stacking energy: -352.443
Base-Backbone interact. energy: -3.363
local terms energy: -388.566822
where:
bonds (distance) C4'-P energy: -80.393
bonds (distance) P-C4' energy: -67.052
flat angles C4'-P-C4' energy: -82.869
flat angles P-C4'-P energy: -63.112
tors. eta vs tors. theta energy: -95.141
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1410.576482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.576482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.976482 (E_RNA)
where:
Base-Base interactions energy: -852.851
where: short stacking energy: -330.204
Base-Backbone interact. energy: -2.745
local terms energy: -353.380856
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -71.712
flat angles C4'-P-C4' energy: -72.796
flat angles P-C4'-P energy: -56.857
tors. eta vs tors. theta energy: -89.734
Dist. restrs. and SS energy: -201.600 (S_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: -1362.195897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.195897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.195897 (E_RNA)
where:
Base-Base interactions energy: -811.136
where: short stacking energy: -326.594
Base-Backbone interact. energy: 0.411
local terms energy: -335.470893
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -71.187
flat angles C4'-P-C4' energy: -73.324
flat angles P-C4'-P energy: -48.473
tors. eta vs tors. theta energy: -78.312
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1276.326267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.326267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.126267 (E_RNA)
where:
Base-Base interactions energy: -733.400
where: short stacking energy: -297.982
Base-Backbone interact. energy: -2.451
local terms energy: -326.274929
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -65.642
flat angles C4'-P-C4' energy: -61.769
flat angles P-C4'-P energy: -47.410
tors. eta vs tors. theta energy: -69.964
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1256.880152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.880152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.880152 (E_RNA)
where:
Base-Base interactions energy: -745.181
where: short stacking energy: -289.683
Base-Backbone interact. energy: 0.780
local terms energy: -314.479096
where:
bonds (distance) C4'-P energy: -60.778
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -72.450
flat angles P-C4'-P energy: -38.665
tors. eta vs tors. theta energy: -74.459
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1230.547318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.547318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.747318 (E_RNA)
where:
Base-Base interactions energy: -709.563
where: short stacking energy: -289.563
Base-Backbone interact. energy: 0.265
local terms energy: -312.450119
where:
bonds (distance) C4'-P energy: -52.382
bonds (distance) P-C4' energy: -68.160
flat angles C4'-P-C4' energy: -73.167
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -79.999
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1171.234973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.234973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.034973 (E_RNA)
where:
Base-Base interactions energy: -672.233
where: short stacking energy: -288.635
Base-Backbone interact. energy: -1.363
local terms energy: -292.438682
where:
bonds (distance) C4'-P energy: -65.010
bonds (distance) P-C4' energy: -56.841
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -45.614
tors. eta vs tors. theta energy: -59.268
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1105.994452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.994452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.994452 (E_RNA)
where:
Base-Base interactions energy: -614.108
where: short stacking energy: -265.319
Base-Backbone interact. energy: -0.177
local terms energy: -293.710059
where:
bonds (distance) C4'-P energy: -58.152
bonds (distance) P-C4' energy: -64.770
flat angles C4'-P-C4' energy: -68.019
flat angles P-C4'-P energy: -44.193
tors. eta vs tors. theta energy: -58.576
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1062.789723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.789723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.389723 (E_RNA)
where:
Base-Base interactions energy: -581.870
where: short stacking energy: -239.417
Base-Backbone interact. energy: -2.424
local terms energy: -284.095353
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -58.550
flat angles C4'-P-C4' energy: -65.835
flat angles P-C4'-P energy: -51.116
tors. eta vs tors. theta energy: -51.403
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -920.451269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.451269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.051269 (E_RNA)
where:
Base-Base interactions energy: -514.337
where: short stacking energy: -201.551
Base-Backbone interact. energy: 1.491
local terms energy: -258.204986
where:
bonds (distance) C4'-P energy: -66.562
bonds (distance) P-C4' energy: -53.478
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -39.394
Dist. restrs. and SS energy: -149.400 (S_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: 180
Temperature: 0.900000
Total energy: -1475.584352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.584352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.984352 (E_RNA)
where:
Base-Base interactions energy: -872.592
where: short stacking energy: -348.782
Base-Backbone interact. energy: -1.697
local terms energy: -399.695071
where:
bonds (distance) C4'-P energy: -73.675
bonds (distance) P-C4' energy: -86.549
flat angles C4'-P-C4' energy: -85.959
flat angles P-C4'-P energy: -54.690
tors. eta vs tors. theta energy: -98.822
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1410.954085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.954085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.354085 (E_RNA)
where:
Base-Base interactions energy: -860.133
where: short stacking energy: -331.966
Base-Backbone interact. energy: -0.908
local terms energy: -348.312319
where:
bonds (distance) C4'-P energy: -61.981
bonds (distance) P-C4' energy: -64.441
flat angles C4'-P-C4' energy: -72.133
flat angles P-C4'-P energy: -58.897
tors. eta vs tors. theta energy: -90.861
Dist. restrs. and SS energy: -201.600 (S_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: 180
Temperature: 1.000000
Total energy: -1369.275002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.275002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.875002 (E_RNA)
where:
Base-Base interactions energy: -790.700
where: short stacking energy: -320.119
Base-Backbone interact. energy: -4.209
local terms energy: -361.965942
where:
bonds (distance) C4'-P energy: -61.520
bonds (distance) P-C4' energy: -72.780
flat angles C4'-P-C4' energy: -78.734
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -94.442
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1305.069231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.069231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.669231 (E_RNA)
where:
Base-Base interactions energy: -762.441
where: short stacking energy: -306.548
Base-Backbone interact. energy: 0.476
local terms energy: -330.703754
where:
bonds (distance) C4'-P energy: -70.871
bonds (distance) P-C4' energy: -66.565
flat angles C4'-P-C4' energy: -68.619
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -78.636
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1284.122297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.122297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.722297 (E_RNA)
where:
Base-Base interactions energy: -762.338
where: short stacking energy: -310.468
Base-Backbone interact. energy: 2.763
local terms energy: -321.146894
where:
bonds (distance) C4'-P energy: -58.701
bonds (distance) P-C4' energy: -70.221
flat angles C4'-P-C4' energy: -70.809
flat angles P-C4'-P energy: -49.803
tors. eta vs tors. theta energy: -71.612
Dist. restrs. and SS energy: -203.400 (S_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: 180
Temperature: 1.150000
Total energy: -1248.293001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.293001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.693001 (E_RNA)
where:
Base-Base interactions energy: -718.635
where: short stacking energy: -287.821
Base-Backbone interact. energy: -0.573
local terms energy: -327.485266
where:
bonds (distance) C4'-P energy: -68.513
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -68.745
flat angles P-C4'-P energy: -52.980
tors. eta vs tors. theta energy: -72.084
Dist. restrs. and SS energy: -201.600 (S_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: 180
Temperature: 1.200000
Total energy: -1161.040618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.040618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.640618 (E_RNA)
where:
Base-Base interactions energy: -667.200
where: short stacking energy: -272.473
Base-Backbone interact. energy: -1.038
local terms energy: -298.403249
where:
bonds (distance) C4'-P energy: -64.198
bonds (distance) P-C4' energy: -64.738
flat angles C4'-P-C4' energy: -69.375
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: -70.350
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1113.620940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.620940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.420940 (E_RNA)
where:
Base-Base interactions energy: -602.810
where: short stacking energy: -255.290
Base-Backbone interact. energy: -1.523
local terms energy: -313.087734
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -70.117
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: -62.078
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1095.696356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.696356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.696356 (E_RNA)
where:
Base-Base interactions energy: -638.851
where: short stacking energy: -264.999
Base-Backbone interact. energy: 0.102
local terms energy: -258.946607
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -60.750
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -915.298071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.298071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.498071 (E_RNA)
where:
Base-Base interactions energy: -509.409
where: short stacking energy: -207.745
Base-Backbone interact. energy: -1.814
local terms energy: -249.274953
where:
bonds (distance) C4'-P energy: -55.677
bonds (distance) P-C4' energy: -58.456
flat angles C4'-P-C4' energy: -63.508
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: -38.385
Dist. restrs. and SS energy: -154.800 (S_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: 181
Temperature: 0.900000
Total energy: -1470.971501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.971501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.171501 (E_RNA)
where:
Base-Base interactions energy: -864.543
where: short stacking energy: -368.780
Base-Backbone interact. energy: -0.831
local terms energy: -396.798024
where:
bonds (distance) C4'-P energy: -75.783
bonds (distance) P-C4' energy: -78.823
flat angles C4'-P-C4' energy: -82.012
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -101.736
Dist. restrs. and SS energy: -208.800 (S_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: 181
Temperature: 0.950000
Total energy: -1393.419527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.419527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.019527 (E_RNA)
where:
Base-Base interactions energy: -816.867
where: short stacking energy: -339.719
Base-Backbone interact. energy: 0.968
local terms energy: -365.120814
where:
bonds (distance) C4'-P energy: -73.528
bonds (distance) P-C4' energy: -80.527
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -49.050
tors. eta vs tors. theta energy: -87.177
Dist. restrs. and SS energy: -212.400 (S_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: -1409.191951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.191951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.191951 (E_RNA)
where:
Base-Base interactions energy: -840.604
where: short stacking energy: -349.054
Base-Backbone interact. energy: -1.669
local terms energy: -368.919071
where:
bonds (distance) C4'-P energy: -66.777
bonds (distance) P-C4' energy: -70.555
flat angles C4'-P-C4' energy: -90.887
flat angles P-C4'-P energy: -52.513
tors. eta vs tors. theta energy: -88.187
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1317.495677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.495677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.095677 (E_RNA)
where:
Base-Base interactions energy: -770.057
where: short stacking energy: -307.456
Base-Backbone interact. energy: 1.654
local terms energy: -336.692522
where:
bonds (distance) C4'-P energy: -64.386
bonds (distance) P-C4' energy: -58.584
flat angles C4'-P-C4' energy: -76.573
flat angles P-C4'-P energy: -52.274
tors. eta vs tors. theta energy: -84.874
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1278.650701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.650701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.250701 (E_RNA)
where:
Base-Base interactions energy: -729.332
where: short stacking energy: -299.094
Base-Backbone interact. energy: -1.994
local terms energy: -343.924514
where:
bonds (distance) C4'-P energy: -64.667
bonds (distance) P-C4' energy: -69.852
flat angles C4'-P-C4' energy: -82.527
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -72.446
Dist. restrs. and SS energy: -203.400 (S_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: -1274.348816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.348816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.348816 (E_RNA)
where:
Base-Base interactions energy: -759.294
where: short stacking energy: -295.651
Base-Backbone interact. energy: 0.082
local terms energy: -317.136984
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -62.417
flat angles C4'-P-C4' energy: -73.887
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -81.556
Dist. restrs. and SS energy: -198.000 (S_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: 181
Temperature: 1.200000
Total energy: -1189.567232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.567232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.367232 (E_RNA)
where:
Base-Base interactions energy: -668.150
where: short stacking energy: -264.650
Base-Backbone interact. energy: -0.700
local terms energy: -315.516983
where:
bonds (distance) C4'-P energy: -63.309
bonds (distance) P-C4' energy: -68.726
flat angles C4'-P-C4' energy: -65.737
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -72.976
Dist. restrs. and SS energy: -205.200 (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: 181
Temperature: 1.250000
Total energy: -1126.933042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.933042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.933042 (E_RNA)
where:
Base-Base interactions energy: -641.213
where: short stacking energy: -251.448
Base-Backbone interact. energy: 0.422
local terms energy: -288.141401
where:
bonds (distance) C4'-P energy: -57.557
bonds (distance) P-C4' energy: -61.360
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -57.963
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1064.529480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.529480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.129480 (E_RNA)
where:
Base-Base interactions energy: -610.511
where: short stacking energy: -245.396
Base-Backbone interact. energy: -2.537
local terms energy: -257.081873
where:
bonds (distance) C4'-P energy: -44.622
bonds (distance) P-C4' energy: -57.875
flat angles C4'-P-C4' energy: -64.220
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -50.440
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -971.225408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.225408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.425408 (E_RNA)
where:
Base-Base interactions energy: -551.854
where: short stacking energy: -214.510
Base-Backbone interact. energy: 1.809
local terms energy: -248.380840
where:
bonds (distance) C4'-P energy: -47.640
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -63.105
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -45.358
Dist. restrs. and SS energy: -172.800 (S_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: 182
Temperature: 0.900000
Total energy: -1437.706667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.706667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.706667 (E_RNA)
where:
Base-Base interactions energy: -835.166
where: short stacking energy: -351.963
Base-Backbone interact. energy: -0.198
local terms energy: -386.342109
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -79.068
flat angles C4'-P-C4' energy: -81.783
flat angles P-C4'-P energy: -53.761
tors. eta vs tors. theta energy: -99.300
Dist. restrs. and SS energy: -216.000 (S_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: 182
Temperature: 0.950000
Total energy: -1437.776395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.776395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.376395 (E_RNA)
where:
Base-Base interactions energy: -870.395
where: short stacking energy: -346.624
Base-Backbone interact. energy: -1.326
local terms energy: -362.656051
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -82.219
flat angles P-C4'-P energy: -56.125
tors. eta vs tors. theta energy: -94.407
Dist. restrs. and SS energy: -203.400 (S_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: -1346.566845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.566845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.566845 (E_RNA)
where:
Base-Base interactions energy: -821.163
where: short stacking energy: -310.675
Base-Backbone interact. energy: 4.587
local terms energy: -331.990571
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -71.859
flat angles C4'-P-C4' energy: -81.965
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -63.887
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1323.976741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.976741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.576741 (E_RNA)
where:
Base-Base interactions energy: -758.383
where: short stacking energy: -299.162
Base-Backbone interact. energy: -2.067
local terms energy: -351.126645
where:
bonds (distance) C4'-P energy: -77.164
bonds (distance) P-C4' energy: -66.441
flat angles C4'-P-C4' energy: -69.115
flat angles P-C4'-P energy: -56.337
tors. eta vs tors. theta energy: -82.069
Dist. restrs. and SS energy: -212.400 (S_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: 182
Temperature: 1.100000
Total energy: -1255.264311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.264311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.464311 (E_RNA)
where:
Base-Base interactions energy: -720.184
where: short stacking energy: -293.223
Base-Backbone interact. energy: 0.367
local terms energy: -335.647826
where:
bonds (distance) C4'-P energy: -56.010
bonds (distance) P-C4' energy: -67.501
flat angles C4'-P-C4' energy: -81.193
flat angles P-C4'-P energy: -53.838
tors. eta vs tors. theta energy: -77.106
Dist. restrs. and SS energy: -199.800 (S_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: 182
Temperature: 1.150000
Total energy: -1272.126749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.126749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.926749 (E_RNA)
where:
Base-Base interactions energy: -742.274
where: short stacking energy: -304.032
Base-Backbone interact. energy: -1.420
local terms energy: -323.232065
where:
bonds (distance) C4'-P energy: -57.052
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -81.692
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1137.098043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.098043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.098043 (E_RNA)
where:
Base-Base interactions energy: -640.356
where: short stacking energy: -246.040
Base-Backbone interact. energy: -0.176
local terms energy: -298.566062
where:
bonds (distance) C4'-P energy: -68.985
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -71.699
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -68.767
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1145.046559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.046559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.046559 (E_RNA)
where:
Base-Base interactions energy: -644.547
where: short stacking energy: -261.997
Base-Backbone interact. energy: -3.278
local terms energy: -299.221753
where:
bonds (distance) C4'-P energy: -65.133
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -63.811
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -64.937
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1076.634217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.634217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.634217 (E_RNA)
where:
Base-Base interactions energy: -602.297
where: short stacking energy: -239.825
Base-Backbone interact. energy: 0.469
local terms energy: -267.805644
where:
bonds (distance) C4'-P energy: -59.853
bonds (distance) P-C4' energy: -53.034
flat angles C4'-P-C4' energy: -61.354
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -54.949
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -906.695535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.695535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.695535 (E_RNA)
where:
Base-Base interactions energy: -512.804
where: short stacking energy: -194.829
Base-Backbone interact. energy: 1.784
local terms energy: -224.676110
where:
bonds (distance) C4'-P energy: -53.316
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -50.784
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -31.160
Dist. restrs. and SS energy: -171.000 (S_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: 183
Temperature: 0.900000
Total energy: -1451.542666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.542666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.942666 (E_RNA)
where:
Base-Base interactions energy: -849.911
where: short stacking energy: -363.460
Base-Backbone interact. energy: -2.396
local terms energy: -388.635459
where:
bonds (distance) C4'-P energy: -70.185
bonds (distance) P-C4' energy: -75.844
flat angles C4'-P-C4' energy: -79.898
flat angles P-C4'-P energy: -58.986
tors. eta vs tors. theta energy: -103.722
Dist. restrs. and SS energy: -210.600 (S_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: 183
Temperature: 0.950000
Total energy: -1453.921318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.921318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.121318 (E_RNA)
where:
Base-Base interactions energy: -862.954
where: short stacking energy: -355.420
Base-Backbone interact. energy: -0.377
local terms energy: -381.790501
where:
bonds (distance) C4'-P energy: -77.528
bonds (distance) P-C4' energy: -67.338
flat angles C4'-P-C4' energy: -83.685
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -98.219
Dist. restrs. and SS energy: -208.800 (S_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: 183
Temperature: 1.000000
Total energy: -1380.156965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.156965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.156965 (E_RNA)
where:
Base-Base interactions energy: -832.734
where: short stacking energy: -342.549
Base-Backbone interact. energy: -2.329
local terms energy: -347.093409
where:
bonds (distance) C4'-P energy: -64.584
bonds (distance) P-C4' energy: -67.224
flat angles C4'-P-C4' energy: -79.719
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -86.284
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1334.628847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.628847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.228847 (E_RNA)
where:
Base-Base interactions energy: -781.163
where: short stacking energy: -294.869
Base-Backbone interact. energy: 1.488
local terms energy: -342.554557
where:
bonds (distance) C4'-P energy: -74.900
bonds (distance) P-C4' energy: -67.986
flat angles C4'-P-C4' energy: -67.704
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -85.391
Dist. restrs. and SS energy: -212.400 (S_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: 183
Temperature: 1.100000
Total energy: -1249.542936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.542936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.542936 (E_RNA)
where:
Base-Base interactions energy: -748.334
where: short stacking energy: -290.184
Base-Backbone interact. energy: 4.073
local terms energy: -316.281823
where:
bonds (distance) C4'-P energy: -68.243
bonds (distance) P-C4' energy: -65.472
flat angles C4'-P-C4' energy: -65.664
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -76.341
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1198.263327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.263327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.263327 (E_RNA)
where:
Base-Base interactions energy: -701.677
where: short stacking energy: -283.306
Base-Backbone interact. energy: -2.747
local terms energy: -295.839331
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -66.903
flat angles P-C4'-P energy: -48.710
tors. eta vs tors. theta energy: -76.205
Dist. restrs. and SS energy: -198.000 (S_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: 183
Temperature: 1.200000
Total energy: -1230.102421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.102421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.702421 (E_RNA)
where:
Base-Base interactions energy: -710.769
where: short stacking energy: -274.552
Base-Backbone interact. energy: -0.599
local terms energy: -315.334863
where:
bonds (distance) C4'-P energy: -62.315
bonds (distance) P-C4' energy: -52.966
flat angles C4'-P-C4' energy: -80.234
flat angles P-C4'-P energy: -44.345
tors. eta vs tors. theta energy: -75.475
Dist. restrs. and SS energy: -203.400 (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: 183
Temperature: 1.250000
Total energy: -1164.670027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.670027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.070027 (E_RNA)
where:
Base-Base interactions energy: -678.599
where: short stacking energy: -276.458
Base-Backbone interact. energy: -0.561
local terms energy: -283.909733
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -62.338
flat angles C4'-P-C4' energy: -58.611
flat angles P-C4'-P energy: -47.511
tors. eta vs tors. theta energy: -60.748
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1070.098838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.098838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.898838 (E_RNA)
where:
Base-Base interactions energy: -612.869
where: short stacking energy: -238.476
Base-Backbone interact. energy: -0.638
local terms energy: -260.392355
where:
bonds (distance) C4'-P energy: -56.324
bonds (distance) P-C4' energy: -58.769
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -58.575
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -939.029411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.029411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.629411 (E_RNA)
where:
Base-Base interactions energy: -523.741
where: short stacking energy: -220.406
Base-Backbone interact. energy: 0.281
local terms energy: -248.169850
where:
bonds (distance) C4'-P energy: -49.611
bonds (distance) P-C4' energy: -60.601
flat angles C4'-P-C4' energy: -56.169
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -42.372
Dist. restrs. and SS energy: -167.400 (S_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: 184
Temperature: 0.900000
Total energy: -1495.442343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.442343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.042343 (E_RNA)
where:
Base-Base interactions energy: -888.468
where: short stacking energy: -365.780
Base-Backbone interact. energy: -2.842
local terms energy: -400.731612
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -84.763
flat angles C4'-P-C4' energy: -77.543
flat angles P-C4'-P energy: -50.824
tors. eta vs tors. theta energy: -107.589
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1392.655780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.655780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.255780 (E_RNA)
where:
Base-Base interactions energy: -807.734
where: short stacking energy: -343.272
Base-Backbone interact. energy: -1.470
local terms energy: -362.051978
where:
bonds (distance) C4'-P energy: -67.429
bonds (distance) P-C4' energy: -67.957
flat angles C4'-P-C4' energy: -79.700
flat angles P-C4'-P energy: -52.699
tors. eta vs tors. theta energy: -94.267
Dist. restrs. and SS energy: -221.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1360.769157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.769157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.569157 (E_RNA)
where:
Base-Base interactions energy: -797.091
where: short stacking energy: -329.686
Base-Backbone interact. energy: -1.874
local terms energy: -347.603981
where:
bonds (distance) C4'-P energy: -68.092
bonds (distance) P-C4' energy: -68.290
flat angles C4'-P-C4' energy: -84.112
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -86.774
Dist. restrs. and SS energy: -214.200 (S_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: 184
Temperature: 1.050000
Total energy: -1352.331678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.331678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.331678 (E_RNA)
where:
Base-Base interactions energy: -801.980
where: short stacking energy: -320.477
Base-Backbone interact. energy: -2.127
local terms energy: -350.223830
where:
bonds (distance) C4'-P energy: -63.039
bonds (distance) P-C4' energy: -76.234
flat angles C4'-P-C4' energy: -75.510
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -87.723
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1250.905922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.905922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.105922 (E_RNA)
where:
Base-Base interactions energy: -728.767
where: short stacking energy: -299.501
Base-Backbone interact. energy: -1.748
local terms energy: -320.590170
where:
bonds (distance) C4'-P energy: -70.503
bonds (distance) P-C4' energy: -68.881
flat angles C4'-P-C4' energy: -64.179
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -73.507
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1206.554021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.554021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.754021 (E_RNA)
where:
Base-Base interactions energy: -674.711
where: short stacking energy: -280.430
Base-Backbone interact. energy: 1.414
local terms energy: -333.457546
where:
bonds (distance) C4'-P energy: -72.251
bonds (distance) P-C4' energy: -65.532
flat angles C4'-P-C4' energy: -74.443
flat angles P-C4'-P energy: -45.399
tors. eta vs tors. theta energy: -75.833
Dist. restrs. and SS energy: -199.800 (S_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: 184
Temperature: 1.200000
Total energy: -1256.574335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.574335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.374335 (E_RNA)
where:
Base-Base interactions energy: -726.719
where: short stacking energy: -282.177
Base-Backbone interact. energy: 2.667
local terms energy: -327.322248
where:
bonds (distance) C4'-P energy: -63.764
bonds (distance) P-C4' energy: -71.162
flat angles C4'-P-C4' energy: -73.318
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1165.503603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.503603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.103603 (E_RNA)
where:
Base-Base interactions energy: -677.498
where: short stacking energy: -276.160
Base-Backbone interact. energy: -2.313
local terms energy: -273.293133
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -63.975
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -63.158
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1068.019444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.019444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.819444 (E_RNA)
where:
Base-Base interactions energy: -605.636
where: short stacking energy: -246.986
Base-Backbone interact. energy: -0.382
local terms energy: -265.801407
where:
bonds (distance) C4'-P energy: -44.689
bonds (distance) P-C4' energy: -59.137
flat angles C4'-P-C4' energy: -66.779
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -52.688
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -911.846345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.846345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.246345 (E_RNA)
where:
Base-Base interactions energy: -526.129
where: short stacking energy: -204.470
Base-Backbone interact. energy: 0.566
local terms energy: -229.683447
where:
bonds (distance) C4'-P energy: -55.429
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -29.325
Dist. restrs. and SS energy: -156.600 (S_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: 185
Temperature: 0.900000
Total energy: -1467.759002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.759002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.759002 (E_RNA)
where:
Base-Base interactions energy: -872.623
where: short stacking energy: -368.470
Base-Backbone interact. energy: 0.346
local terms energy: -388.481670
where:
bonds (distance) C4'-P energy: -67.152
bonds (distance) P-C4' energy: -78.369
flat angles C4'-P-C4' energy: -81.874
flat angles P-C4'-P energy: -57.200
tors. eta vs tors. theta energy: -103.888
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1391.285307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.285307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.285307 (E_RNA)
where:
Base-Base interactions energy: -826.007
where: short stacking energy: -324.115
Base-Backbone interact. energy: -5.204
local terms energy: -344.074169
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -67.790
flat angles C4'-P-C4' energy: -82.634
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -82.377
Dist. restrs. and SS energy: -216.000 (S_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: 185
Temperature: 1.000000
Total energy: -1374.420578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.420578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.820578 (E_RNA)
where:
Base-Base interactions energy: -801.566
where: short stacking energy: -330.584
Base-Backbone interact. energy: -2.326
local terms energy: -350.928509
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -71.600
flat angles C4'-P-C4' energy: -84.218
flat angles P-C4'-P energy: -48.028
tors. eta vs tors. theta energy: -92.276
Dist. restrs. and SS energy: -219.600 (S_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: 185
Temperature: 1.050000
Total energy: -1350.828843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.828843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.428843 (E_RNA)
where:
Base-Base interactions energy: -806.731
where: short stacking energy: -329.510
Base-Backbone interact. energy: 3.664
local terms energy: -353.361638
where:
bonds (distance) C4'-P energy: -67.559
bonds (distance) P-C4' energy: -72.535
flat angles C4'-P-C4' energy: -81.395
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -80.637
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1237.469603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.469603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.669603 (E_RNA)
where:
Base-Base interactions energy: -732.012
where: short stacking energy: -284.803
Base-Backbone interact. energy: -1.982
local terms energy: -303.675804
where:
bonds (distance) C4'-P energy: -59.668
bonds (distance) P-C4' energy: -58.385
flat angles C4'-P-C4' energy: -72.569
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -67.269
Dist. restrs. and SS energy: -199.800 (S_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: 185
Temperature: 1.150000
Total energy: -1248.412935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.412935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.812935 (E_RNA)
where:
Base-Base interactions energy: -732.458
where: short stacking energy: -303.955
Base-Backbone interact. energy: -0.301
local terms energy: -314.053641
where:
bonds (distance) C4'-P energy: -58.693
bonds (distance) P-C4' energy: -58.928
flat angles C4'-P-C4' energy: -74.008
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -85.068
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1164.763737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.763737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.763737 (E_RNA)
where:
Base-Base interactions energy: -645.370
where: short stacking energy: -276.661
Base-Backbone interact. energy: -1.322
local terms energy: -320.071066
where:
bonds (distance) C4'-P energy: -63.372
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -68.231
flat angles P-C4'-P energy: -49.755
tors. eta vs tors. theta energy: -72.026
Dist. restrs. and SS energy: -198.000 (S_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: -1201.440080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.440080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.040080 (E_RNA)
where:
Base-Base interactions energy: -699.852
where: short stacking energy: -273.723
Base-Backbone interact. energy: -1.170
local terms energy: -288.017906
where:
bonds (distance) C4'-P energy: -59.056
bonds (distance) P-C4' energy: -52.133
flat angles C4'-P-C4' energy: -62.725
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -76.820
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1057.362153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.362153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.962153 (E_RNA)
where:
Base-Base interactions energy: -601.008
where: short stacking energy: -247.421
Base-Backbone interact. energy: -2.489
local terms energy: -259.464221
where:
bonds (distance) C4'-P energy: -58.277
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -50.051
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -63.760
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -921.642197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.642197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.842197 (E_RNA)
where:
Base-Base interactions energy: -510.524
where: short stacking energy: -216.351
Base-Backbone interact. energy: 2.344
local terms energy: -258.662674
where:
bonds (distance) C4'-P energy: -53.073
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -41.201
Dist. restrs. and SS energy: -154.800 (S_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: 186
Temperature: 0.900000
Total energy: -1453.563446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.563446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.563446 (E_RNA)
where:
Base-Base interactions energy: -869.061
where: short stacking energy: -348.633
Base-Backbone interact. energy: -2.795
local terms energy: -374.707319
where:
bonds (distance) C4'-P energy: -77.647
bonds (distance) P-C4' energy: -69.512
flat angles C4'-P-C4' energy: -86.291
flat angles P-C4'-P energy: -51.757
tors. eta vs tors. theta energy: -89.500
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1381.218654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.218654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.618654 (E_RNA)
where:
Base-Base interactions energy: -824.126
where: short stacking energy: -317.576
Base-Backbone interact. energy: -1.106
local terms energy: -345.387110
where:
bonds (distance) C4'-P energy: -69.270
bonds (distance) P-C4' energy: -66.068
flat angles C4'-P-C4' energy: -80.607
flat angles P-C4'-P energy: -49.890
tors. eta vs tors. theta energy: -79.552
Dist. restrs. and SS energy: -210.600 (S_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: 186
Temperature: 1.000000
Total energy: -1341.470354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.470354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.270354 (E_RNA)
where:
Base-Base interactions energy: -810.494
where: short stacking energy: -306.711
Base-Backbone interact. energy: -2.488
local terms energy: -332.288832
where:
bonds (distance) C4'-P energy: -64.341
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -76.000
flat angles P-C4'-P energy: -57.677
tors. eta vs tors. theta energy: -69.564
Dist. restrs. and SS energy: -196.200 (S_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: 186
Temperature: 1.050000
Total energy: -1340.925578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.925578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.925578 (E_RNA)
where:
Base-Base interactions energy: -801.974
where: short stacking energy: -330.767
Base-Backbone interact. energy: -0.029
local terms energy: -322.922530
where:
bonds (distance) C4'-P energy: -67.066
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -77.699
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -92.809
Dist. restrs. and SS energy: -216.000 (S_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: 186
Temperature: 1.100000
Total energy: -1306.428934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.428934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.428934 (E_RNA)
where:
Base-Base interactions energy: -756.278
where: short stacking energy: -299.197
Base-Backbone interact. energy: -1.898
local terms energy: -341.252402
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -73.122
flat angles P-C4'-P energy: -47.507
tors. eta vs tors. theta energy: -84.715
Dist. restrs. and SS energy: -207.000 (S_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: -1211.846840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.846840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.646840 (E_RNA)
where:
Base-Base interactions energy: -684.566
where: short stacking energy: -265.594
Base-Backbone interact. energy: -2.632
local terms energy: -328.449177
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -66.462
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -50.538
tors. eta vs tors. theta energy: -69.123
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1147.201134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.201134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.201134 (E_RNA)
where:
Base-Base interactions energy: -652.679
where: short stacking energy: -276.048
Base-Backbone interact. energy: -0.961
local terms energy: -295.560754
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -66.320
flat angles C4'-P-C4' energy: -72.021
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -66.518
Dist. restrs. and SS energy: -198.000 (S_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: 186
Temperature: 1.250000
Total energy: -1167.613752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.613752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.413752 (E_RNA)
where:
Base-Base interactions energy: -646.012
where: short stacking energy: -239.979
Base-Backbone interact. energy: -4.612
local terms energy: -302.789636
where:
bonds (distance) C4'-P energy: -66.223
bonds (distance) P-C4' energy: -68.345
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -50.341
tors. eta vs tors. theta energy: -54.378
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1057.059788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.059788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.259788 (E_RNA)
where:
Base-Base interactions energy: -590.857
where: short stacking energy: -238.472
Base-Backbone interact. energy: 0.805
local terms energy: -276.207427
where:
bonds (distance) C4'-P energy: -68.002
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -56.281
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -917.066585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.066585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.666585 (E_RNA)
where:
Base-Base interactions energy: -516.590
where: short stacking energy: -200.517
Base-Backbone interact. energy: -3.197
local terms energy: -238.879760
where:
bonds (distance) C4'-P energy: -47.770
bonds (distance) P-C4' energy: -61.287
flat angles C4'-P-C4' energy: -53.288
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -37.756
Dist. restrs. and SS energy: -158.400 (S_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: 187
Temperature: 0.900000
Total energy: -1453.873891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.873891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.073891 (E_RNA)
where:
Base-Base interactions energy: -865.399
where: short stacking energy: -342.289
Base-Backbone interact. energy: -2.053
local terms energy: -377.621565
where:
bonds (distance) C4'-P energy: -75.505
bonds (distance) P-C4' energy: -74.817
flat angles C4'-P-C4' energy: -75.054
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -94.845
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1378.673539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.673539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.473539 (E_RNA)
where:
Base-Base interactions energy: -808.816
where: short stacking energy: -316.595
Base-Backbone interact. energy: -2.333
local terms energy: -353.324834
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -75.348
flat angles C4'-P-C4' energy: -72.404
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: -80.403
Dist. restrs. and SS energy: -214.200 (S_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: 187
Temperature: 1.000000
Total energy: -1342.670420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.670420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.870420 (E_RNA)
where:
Base-Base interactions energy: -802.683
where: short stacking energy: -322.265
Base-Backbone interact. energy: 0.891
local terms energy: -341.078748
where:
bonds (distance) C4'-P energy: -67.661
bonds (distance) P-C4' energy: -68.476
flat angles C4'-P-C4' energy: -74.306
flat angles P-C4'-P energy: -51.821
tors. eta vs tors. theta energy: -78.815
Dist. restrs. and SS energy: -199.800 (S_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: -1316.724673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.724673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.724673 (E_RNA)
where:
Base-Base interactions energy: -778.745
where: short stacking energy: -310.353
Base-Backbone interact. energy: -1.884
local terms energy: -329.095495
where:
bonds (distance) C4'-P energy: -64.016
bonds (distance) P-C4' energy: -53.688
flat angles C4'-P-C4' energy: -80.279
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -87.314
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1299.334165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.334165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.734165 (E_RNA)
where:
Base-Base interactions energy: -751.221
where: short stacking energy: -326.192
Base-Backbone interact. energy: -0.517
local terms energy: -327.995702
where:
bonds (distance) C4'-P energy: -64.686
bonds (distance) P-C4' energy: -54.811
flat angles C4'-P-C4' energy: -70.359
flat angles P-C4'-P energy: -46.267
tors. eta vs tors. theta energy: -91.872
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1164.836219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.836219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.436219 (E_RNA)
where:
Base-Base interactions energy: -687.858
where: short stacking energy: -258.487
Base-Backbone interact. energy: -3.255
local terms energy: -279.322882
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -41.702
flat angles C4'-P-C4' energy: -71.916
flat angles P-C4'-P energy: -44.447
tors. eta vs tors. theta energy: -67.541
Dist. restrs. and SS energy: -194.400 (S_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: -1213.333729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.333729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.333729 (E_RNA)
where:
Base-Base interactions energy: -719.454
where: short stacking energy: -273.340
Base-Backbone interact. energy: -1.494
local terms energy: -294.385897
where:
bonds (distance) C4'-P energy: -60.392
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -68.563
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1159.363594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.363594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.363594 (E_RNA)
where:
Base-Base interactions energy: -676.638
where: short stacking energy: -281.785
Base-Backbone interact. energy: -0.564
local terms energy: -293.161496
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -68.085
flat angles C4'-P-C4' energy: -68.118
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -70.780
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1119.745787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.745787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.745787 (E_RNA)
where:
Base-Base interactions energy: -637.896
where: short stacking energy: -238.173
Base-Backbone interact. energy: -2.848
local terms energy: -272.002363
where:
bonds (distance) C4'-P energy: -64.901
bonds (distance) P-C4' energy: -52.587
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -52.470
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -917.634976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.634976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.034976 (E_RNA)
where:
Base-Base interactions energy: -504.228
where: short stacking energy: -207.050
Base-Backbone interact. energy: -2.060
local terms energy: -254.747214
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -54.413
flat angles P-C4'-P energy: -48.102
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: -156.600 (S_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: 188
Temperature: 0.900000
Total energy: -1462.881760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.881760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.081760 (E_RNA)
where:
Base-Base interactions energy: -865.090
where: short stacking energy: -335.192
Base-Backbone interact. energy: -2.136
local terms energy: -386.856022
where:
bonds (distance) C4'-P energy: -74.717
bonds (distance) P-C4' energy: -77.075
flat angles C4'-P-C4' energy: -80.193
flat angles P-C4'-P energy: -63.106
tors. eta vs tors. theta energy: -91.765
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1399.418224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.418224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.218224 (E_RNA)
where:
Base-Base interactions energy: -827.564
where: short stacking energy: -319.267
Base-Backbone interact. energy: -2.299
local terms energy: -355.355221
where:
bonds (distance) C4'-P energy: -68.034
bonds (distance) P-C4' energy: -82.092
flat angles C4'-P-C4' energy: -83.902
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -76.089
Dist. restrs. and SS energy: -214.200 (S_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: 188
Temperature: 1.000000
Total energy: -1365.448911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.448911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.048911 (E_RNA)
where:
Base-Base interactions energy: -817.761
where: short stacking energy: -316.553
Base-Backbone interact. energy: 0.358
local terms energy: -353.645952
where:
bonds (distance) C4'-P energy: -66.314
bonds (distance) P-C4' energy: -76.157
flat angles C4'-P-C4' energy: -78.181
flat angles P-C4'-P energy: -54.593
tors. eta vs tors. theta energy: -78.400
Dist. restrs. and SS energy: -194.400 (S_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: -1321.957316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.957316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.757316 (E_RNA)
where:
Base-Base interactions energy: -774.769
where: short stacking energy: -315.426
Base-Backbone interact. energy: -0.320
local terms energy: -341.667678
where:
bonds (distance) C4'-P energy: -72.347
bonds (distance) P-C4' energy: -57.632
flat angles C4'-P-C4' energy: -76.093
flat angles P-C4'-P energy: -56.402
tors. eta vs tors. theta energy: -79.193
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1308.726046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.726046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.326046 (E_RNA)
where:
Base-Base interactions energy: -764.526
where: short stacking energy: -309.941
Base-Backbone interact. energy: -1.272
local terms energy: -330.528887
where:
bonds (distance) C4'-P energy: -67.485
bonds (distance) P-C4' energy: -62.727
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -49.732
tors. eta vs tors. theta energy: -91.506
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1173.053561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.053561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.653561 (E_RNA)
where:
Base-Base interactions energy: -671.497
where: short stacking energy: -259.930
Base-Backbone interact. energy: 0.152
local terms energy: -307.308184
where:
bonds (distance) C4'-P energy: -60.882
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -57.610
Dist. restrs. and SS energy: -194.400 (S_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: 188
Temperature: 1.200000
Total energy: -1179.281987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.281987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.881987 (E_RNA)
where:
Base-Base interactions energy: -660.164
where: short stacking energy: -276.073
Base-Backbone interact. energy: 0.256
local terms energy: -315.974109
where:
bonds (distance) C4'-P energy: -65.355
bonds (distance) P-C4' energy: -63.722
flat angles C4'-P-C4' energy: -72.293
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -71.489
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1188.576482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.576482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.376482 (E_RNA)
where:
Base-Base interactions energy: -691.232
where: short stacking energy: -273.368
Base-Backbone interact. energy: -0.793
local terms energy: -300.351574
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -61.592
flat angles C4'-P-C4' energy: -75.615
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -62.349
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1126.403954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.403954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.003954 (E_RNA)
where:
Base-Base interactions energy: -659.820
where: short stacking energy: -263.090
Base-Backbone interact. energy: 1.276
local terms energy: -264.459927
where:
bonds (distance) C4'-P energy: -56.087
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -59.332
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -64.136
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. 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: -917.506597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.506597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.906597 (E_RNA)
where:
Base-Base interactions energy: -511.022
where: short stacking energy: -209.828
Base-Backbone interact. energy: 1.379
local terms energy: -260.263333
where:
bonds (distance) C4'-P energy: -58.231
bonds (distance) P-C4' energy: -61.117
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -33.964
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: -147.600 (S_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: 189
Temperature: 0.900000
Total energy: -1480.275256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.275256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.275256 (E_RNA)
where:
Base-Base interactions energy: -883.859
where: short stacking energy: -352.656
Base-Backbone interact. energy: -0.753
local terms energy: -388.663508
where:
bonds (distance) C4'-P energy: -74.480
bonds (distance) P-C4' energy: -82.965
flat angles C4'-P-C4' energy: -88.752
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -97.531
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1396.398795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.398795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.198795 (E_RNA)
where:
Base-Base interactions energy: -842.001
where: short stacking energy: -333.353
Base-Backbone interact. energy: -0.900
local terms energy: -339.297900
where:
bonds (distance) C4'-P energy: -57.839
bonds (distance) P-C4' energy: -75.039
flat angles C4'-P-C4' energy: -78.764
flat angles P-C4'-P energy: -45.485
tors. eta vs tors. theta energy: -82.170
Dist. restrs. and SS energy: -214.200 (S_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: 189
Temperature: 1.000000
Total energy: -1405.250932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.250932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.250932 (E_RNA)
where:
Base-Base interactions energy: -841.644
where: short stacking energy: -326.302
Base-Backbone interact. energy: -0.567
local terms energy: -365.039629
where:
bonds (distance) C4'-P energy: -76.272
bonds (distance) P-C4' energy: -65.352
flat angles C4'-P-C4' energy: -79.781
flat angles P-C4'-P energy: -56.465
tors. eta vs tors. theta energy: -87.169
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1327.293107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.293107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.293107 (E_RNA)
where:
Base-Base interactions energy: -780.765
where: short stacking energy: -295.518
Base-Backbone interact. energy: -0.867
local terms energy: -338.660896
where:
bonds (distance) C4'-P energy: -71.128
bonds (distance) P-C4' energy: -62.293
flat angles C4'-P-C4' energy: -73.691
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: -87.391
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1316.252199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.252199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.052199 (E_RNA)
where:
Base-Base interactions energy: -760.147
where: short stacking energy: -329.101
Base-Backbone interact. energy: 1.988
local terms energy: -352.893245
where:
bonds (distance) C4'-P energy: -69.345
bonds (distance) P-C4' energy: -71.802
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -51.614
tors. eta vs tors. theta energy: -90.660
Dist. restrs. and SS energy: -205.200 (S_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: 189
Temperature: 1.150000
Total energy: -1207.731061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.731061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.931061 (E_RNA)
where:
Base-Base interactions energy: -692.084
where: short stacking energy: -278.414
Base-Backbone interact. energy: -3.403
local terms energy: -312.443970
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -76.240
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -75.291
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1158.894446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.894446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.694446 (E_RNA)
where:
Base-Base interactions energy: -655.921
where: short stacking energy: -266.481
Base-Backbone interact. energy: -2.233
local terms energy: -304.539689
where:
bonds (distance) C4'-P energy: -63.927
bonds (distance) P-C4' energy: -68.325
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -67.605
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1183.120320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.120320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.520320 (E_RNA)
where:
Base-Base interactions energy: -674.239
where: short stacking energy: -264.533
Base-Backbone interact. energy: -2.073
local terms energy: -305.208595
where:
bonds (distance) C4'-P energy: -56.347
bonds (distance) P-C4' energy: -70.134
flat angles C4'-P-C4' energy: -66.309
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -67.060
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1153.795665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.795665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.395665 (E_RNA)
where:
Base-Base interactions energy: -689.790
where: short stacking energy: -263.457
Base-Backbone interact. energy: 1.913
local terms energy: -271.518877
where:
bonds (distance) C4'-P energy: -46.875
bonds (distance) P-C4' energy: -66.222
flat angles C4'-P-C4' energy: -63.844
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -62.099
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -952.916610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.916610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.316610 (E_RNA)
where:
Base-Base interactions energy: -544.049
where: short stacking energy: -225.280
Base-Backbone interact. energy: -1.188
local terms energy: -242.080417
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -52.593
flat angles C4'-P-C4' energy: -56.168
flat angles P-C4'-P energy: -36.470
tors. eta vs tors. theta energy: -41.853
Dist. restrs. and SS energy: -165.600 (S_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: 190
Temperature: 0.900000
Total energy: -1462.311490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.311490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.311490 (E_RNA)
where:
Base-Base interactions energy: -878.943
where: short stacking energy: -370.268
Base-Backbone interact. energy: -0.325
local terms energy: -376.043280
where:
bonds (distance) C4'-P energy: -73.147
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -54.354
tors. eta vs tors. theta energy: -98.894
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1404.083355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.083355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.083355 (E_RNA)
where:
Base-Base interactions energy: -834.664
where: short stacking energy: -334.645
Base-Backbone interact. energy: -3.955
local terms energy: -349.464112
where:
bonds (distance) C4'-P energy: -68.419
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -80.521
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -85.994
Dist. restrs. and SS energy: -216.000 (S_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: 190
Temperature: 1.000000
Total energy: -1387.840191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.840191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.240191 (E_RNA)
where:
Base-Base interactions energy: -836.992
where: short stacking energy: -330.477
Base-Backbone interact. energy: -0.828
local terms energy: -348.420545
where:
bonds (distance) C4'-P energy: -67.754
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -74.523
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -84.571
Dist. restrs. and SS energy: -201.600 (S_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: 190
Temperature: 1.050000
Total energy: -1342.993481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.993481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.793481 (E_RNA)
where:
Base-Base interactions energy: -798.393
where: short stacking energy: -329.447
Base-Backbone interact. energy: -3.303
local terms energy: -336.097748
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -60.019
flat angles C4'-P-C4' energy: -66.680
flat angles P-C4'-P energy: -48.011
tors. eta vs tors. theta energy: -85.198
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1333.279693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.279693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.079693 (E_RNA)
where:
Base-Base interactions energy: -769.039
where: short stacking energy: -305.685
Base-Backbone interact. energy: -0.997
local terms energy: -349.043443
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -69.525
flat angles C4'-P-C4' energy: -75.323
flat angles P-C4'-P energy: -52.396
tors. eta vs tors. theta energy: -84.237
Dist. restrs. and SS energy: -214.200 (S_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: 190
Temperature: 1.150000
Total energy: -1208.368079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.368079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.568079 (E_RNA)
where:
Base-Base interactions energy: -695.446
where: short stacking energy: -287.195
Base-Backbone interact. energy: -2.651
local terms energy: -310.471513
where:
bonds (distance) C4'-P energy: -68.209
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -50.186
tors. eta vs tors. theta energy: -69.894
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1164.292528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.292528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.892528 (E_RNA)
where:
Base-Base interactions energy: -671.239
where: short stacking energy: -280.325
Base-Backbone interact. energy: -1.193
local terms energy: -297.460065
where:
bonds (distance) C4'-P energy: -56.707
bonds (distance) P-C4' energy: -61.491
flat angles C4'-P-C4' energy: -67.475
flat angles P-C4'-P energy: -48.054
tors. eta vs tors. theta energy: -63.734
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1147.617134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.617134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.217134 (E_RNA)
where:
Base-Base interactions energy: -661.704
where: short stacking energy: -251.863
Base-Backbone interact. energy: 1.486
local terms energy: -283.999336
where:
bonds (distance) C4'-P energy: -70.610
bonds (distance) P-C4' energy: -52.039
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -57.442
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -964.999186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.399186 (E_RNA)
where:
Base-Base interactions energy: -547.371
where: short stacking energy: -228.588
Base-Backbone interact. energy: -0.892
local terms energy: -251.136044
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -38.693
flat angles C4'-P-C4' energy: -77.980
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -45.327
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1100.005641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.005641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.205641 (E_RNA)
where:
Base-Base interactions energy: -631.454
where: short stacking energy: -257.816
Base-Backbone interact. energy: -1.128
local terms energy: -267.623868
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -51.011
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -45.963
tors. eta vs tors. theta energy: -65.002
Dist. restrs. and SS energy: -199.800 (S_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: 191
Temperature: 0.900000
Total energy: -1471.697199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.697199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.697199 (E_RNA)
where:
Base-Base interactions energy: -881.428
where: short stacking energy: -360.683
Base-Backbone interact. energy: -2.416
local terms energy: -380.853330
where:
bonds (distance) C4'-P energy: -69.794
bonds (distance) P-C4' energy: -69.519
flat angles C4'-P-C4' energy: -80.855
flat angles P-C4'-P energy: -57.265
tors. eta vs tors. theta energy: -103.421
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1385.913298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.913298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.913298 (E_RNA)
where:
Base-Base interactions energy: -826.548
where: short stacking energy: -327.556
Base-Backbone interact. energy: 1.702
local terms energy: -345.066934
where:
bonds (distance) C4'-P energy: -59.488
bonds (distance) P-C4' energy: -73.713
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -80.416
Dist. restrs. and SS energy: -216.000 (S_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: -1384.726454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.726454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.726454 (E_RNA)
where:
Base-Base interactions energy: -831.379
where: short stacking energy: -315.600
Base-Backbone interact. energy: -0.524
local terms energy: -354.823682
where:
bonds (distance) C4'-P energy: -72.453
bonds (distance) P-C4' energy: -68.226
flat angles C4'-P-C4' energy: -73.159
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -90.650
Dist. restrs. and SS energy: -198.000 (S_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: 191
Temperature: 1.050000
Total energy: -1326.926967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.926967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.926967 (E_RNA)
where:
Base-Base interactions energy: -767.079
where: short stacking energy: -321.900
Base-Backbone interact. energy: -1.577
local terms energy: -351.270691
where:
bonds (distance) C4'-P energy: -74.376
bonds (distance) P-C4' energy: -71.549
flat angles C4'-P-C4' energy: -66.229
flat angles P-C4'-P energy: -49.965
tors. eta vs tors. theta energy: -89.152
Dist. restrs. and SS energy: -207.000 (S_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: 191
Temperature: 1.100000
Total energy: -1301.717155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.717155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.317155 (E_RNA)
where:
Base-Base interactions energy: -752.569
where: short stacking energy: -306.054
Base-Backbone interact. energy: -2.196
local terms energy: -343.551427
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -74.077
flat angles C4'-P-C4' energy: -70.245
flat angles P-C4'-P energy: -53.844
tors. eta vs tors. theta energy: -88.368
Dist. restrs. and SS energy: -203.400 (S_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: 191
Temperature: 1.150000
Total energy: -1194.331477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.331477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.131477 (E_RNA)
where:
Base-Base interactions energy: -677.926
where: short stacking energy: -252.940
Base-Backbone interact. energy: -1.936
local terms energy: -309.269080
where:
bonds (distance) C4'-P energy: -65.119
bonds (distance) P-C4' energy: -62.065
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -74.196
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1156.498495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.498495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.698495 (E_RNA)
where:
Base-Base interactions energy: -667.232
where: short stacking energy: -262.977
Base-Backbone interact. energy: 1.234
local terms energy: -290.701340
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -53.526
flat angles C4'-P-C4' energy: -70.968
flat angles P-C4'-P energy: -52.731
tors. eta vs tors. theta energy: -59.998
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1140.866686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.866686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.666686 (E_RNA)
where:
Base-Base interactions energy: -654.682
where: short stacking energy: -262.611
Base-Backbone interact. energy: -0.912
local terms energy: -280.073229
where:
bonds (distance) C4'-P energy: -57.837
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -72.143
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -974.139347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.139347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.739347 (E_RNA)
where:
Base-Base interactions energy: -550.749
where: short stacking energy: -238.233
Base-Backbone interact. energy: 1.799
local terms energy: -266.789438
where:
bonds (distance) C4'-P energy: -52.377
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -55.223
flat angles P-C4'-P energy: -43.489
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1127.968537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.968537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.168537 (E_RNA)
where:
Base-Base interactions energy: -635.112
where: short stacking energy: -256.887
Base-Backbone interact. energy: 0.756
local terms energy: -293.812790
where:
bonds (distance) C4'-P energy: -68.044
bonds (distance) P-C4' energy: -60.238
flat angles C4'-P-C4' energy: -65.421
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -65.056
Dist. restrs. and SS energy: -199.800 (S_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: 192
Temperature: 0.900000
Total energy: -1479.229892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.229892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.029892 (E_RNA)
where:
Base-Base interactions energy: -882.384
where: short stacking energy: -359.099
Base-Backbone interact. energy: -3.427
local terms energy: -388.219018
where:
bonds (distance) C4'-P energy: -69.623
bonds (distance) P-C4' energy: -71.994
flat angles C4'-P-C4' energy: -84.902
flat angles P-C4'-P energy: -59.302
tors. eta vs tors. theta energy: -102.398
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1383.083328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.083328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.083328 (E_RNA)
where:
Base-Base interactions energy: -816.538
where: short stacking energy: -330.922
Base-Backbone interact. energy: -2.219
local terms energy: -348.326541
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -69.415
flat angles C4'-P-C4' energy: -72.523
flat angles P-C4'-P energy: -47.129
tors. eta vs tors. theta energy: -87.332
Dist. restrs. and SS energy: -216.000 (S_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: 192
Temperature: 1.000000
Total energy: -1385.103931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.103931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.303931 (E_RNA)
where:
Base-Base interactions energy: -844.491
where: short stacking energy: -327.675
Base-Backbone interact. energy: -1.220
local terms energy: -339.592575
where:
bonds (distance) C4'-P energy: -60.551
bonds (distance) P-C4' energy: -69.670
flat angles C4'-P-C4' energy: -67.381
flat angles P-C4'-P energy: -47.222
tors. eta vs tors. theta energy: -94.769
Dist. restrs. and SS energy: -199.800 (S_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: 192
Temperature: 1.050000
Total energy: -1320.062255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.062255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.262255 (E_RNA)
where:
Base-Base interactions energy: -776.003
where: short stacking energy: -326.734
Base-Backbone interact. energy: -1.459
local terms energy: -333.799983
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -82.704
flat angles P-C4'-P energy: -47.448
tors. eta vs tors. theta energy: -89.828
Dist. restrs. and SS energy: -208.800 (S_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: 192
Temperature: 1.100000
Total energy: -1287.735186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.735186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.335186 (E_RNA)
where:
Base-Base interactions energy: -766.053
where: short stacking energy: -312.910
Base-Backbone interact. energy: 5.526
local terms energy: -323.808471
where:
bonds (distance) C4'-P energy: -69.867
bonds (distance) P-C4' energy: -52.858
flat angles C4'-P-C4' energy: -76.498
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -69.602
Dist. restrs. and SS energy: -203.400 (S_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: -1188.084839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.084839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.284839 (E_RNA)
where:
Base-Base interactions energy: -690.665
where: short stacking energy: -286.162
Base-Backbone interact. energy: -0.103
local terms energy: -297.516965
where:
bonds (distance) C4'-P energy: -47.930
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -57.949
flat angles P-C4'-P energy: -51.496
tors. eta vs tors. theta energy: -63.458
Dist. restrs. and SS energy: -199.800 (S_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: 192
Temperature: 1.200000
Total energy: -1165.189812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.189812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.789812 (E_RNA)
where:
Base-Base interactions energy: -649.329
where: short stacking energy: -269.472
Base-Backbone interact. energy: -1.657
local terms energy: -310.803745
where:
bonds (distance) C4'-P energy: -65.270
bonds (distance) P-C4' energy: -67.399
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: -69.728
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1142.065395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.065395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.065395 (E_RNA)
where:
Base-Base interactions energy: -667.610
where: short stacking energy: -265.977
Base-Backbone interact. energy: 1.366
local terms energy: -277.821199
where:
bonds (distance) C4'-P energy: -63.339
bonds (distance) P-C4' energy: -48.595
flat angles C4'-P-C4' energy: -66.287
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1124.566500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.566500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.366500 (E_RNA)
where:
Base-Base interactions energy: -640.761
where: short stacking energy: -257.131
Base-Backbone interact. energy: -3.357
local terms energy: -284.248740
where:
bonds (distance) C4'-P energy: -58.726
bonds (distance) P-C4' energy: -50.214
flat angles C4'-P-C4' energy: -62.535
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -69.686
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -916.848460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.848460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.648460 (E_RNA)
where:
Base-Base interactions energy: -507.734
where: short stacking energy: -210.199
Base-Backbone interact. energy: -0.220
local terms energy: -257.694472
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -57.969
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -51.695
Dist. restrs. and SS energy: -151.200 (S_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: 193
Temperature: 0.900000
Total energy: -1477.598450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.598450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.198450 (E_RNA)
where:
Base-Base interactions energy: -894.165
where: short stacking energy: -363.232
Base-Backbone interact. energy: -1.483
local terms energy: -378.550103
where:
bonds (distance) C4'-P energy: -70.988
bonds (distance) P-C4' energy: -70.557
flat angles C4'-P-C4' energy: -78.284
flat angles P-C4'-P energy: -58.971
tors. eta vs tors. theta energy: -99.750
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1414.227927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.227927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.227927 (E_RNA)
where:
Base-Base interactions energy: -881.772
where: short stacking energy: -322.779
Base-Backbone interact. energy: -0.372
local terms energy: -334.084327
where:
bonds (distance) C4'-P energy: -72.625
bonds (distance) P-C4' energy: -61.328
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -81.634
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1336.757110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.757110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.757110 (E_RNA)
where:
Base-Base interactions energy: -779.486
where: short stacking energy: -307.031
Base-Backbone interact. energy: -1.937
local terms energy: -339.334294
where:
bonds (distance) C4'-P energy: -63.568
bonds (distance) P-C4' energy: -71.803
flat angles C4'-P-C4' energy: -73.915
flat angles P-C4'-P energy: -46.247
tors. eta vs tors. theta energy: -83.801
Dist. restrs. and SS energy: -216.000 (S_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: 193
Temperature: 1.050000
Total energy: -1350.409951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.409951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.409951 (E_RNA)
where:
Base-Base interactions energy: -786.712
where: short stacking energy: -330.796
Base-Backbone interact. energy: 0.240
local terms energy: -347.937817
where:
bonds (distance) C4'-P energy: -69.580
bonds (distance) P-C4' energy: -66.249
flat angles C4'-P-C4' energy: -79.502
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -82.685
Dist. restrs. and SS energy: -216.000 (S_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: 193
Temperature: 1.100000
Total energy: -1293.360810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.360810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.360810 (E_RNA)
where:
Base-Base interactions energy: -757.346
where: short stacking energy: -310.230
Base-Backbone interact. energy: -3.146
local terms energy: -325.868389
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -75.505
flat angles C4'-P-C4' energy: -72.040
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -83.967
Dist. restrs. and SS energy: -207.000 (S_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: 193
Temperature: 1.150000
Total energy: -1205.753860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.753860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.553860 (E_RNA)
where:
Base-Base interactions energy: -699.625
where: short stacking energy: -279.137
Base-Backbone interact. energy: 3.900
local terms energy: -313.828887
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -59.659
flat angles C4'-P-C4' energy: -73.390
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -74.720
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1152.507888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.507888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.107888 (E_RNA)
where:
Base-Base interactions energy: -644.873
where: short stacking energy: -278.163
Base-Backbone interact. energy: 0.197
local terms energy: -304.431917
where:
bonds (distance) C4'-P energy: -62.637
bonds (distance) P-C4' energy: -69.421
flat angles C4'-P-C4' energy: -78.846
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -62.488
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1124.299843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.299843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.699843 (E_RNA)
where:
Base-Base interactions energy: -643.711
where: short stacking energy: -260.742
Base-Backbone interact. energy: -0.871
local terms energy: -278.117921
where:
bonds (distance) C4'-P energy: -51.182
bonds (distance) P-C4' energy: -59.137
flat angles C4'-P-C4' energy: -59.114
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -57.925
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1111.081527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.081527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.281527 (E_RNA)
where:
Base-Base interactions energy: -648.305
where: short stacking energy: -254.122
Base-Backbone interact. energy: 1.450
local terms energy: -264.425944
where:
bonds (distance) C4'-P energy: -61.823
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -68.276
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -45.169
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -946.578908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.578908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.178908 (E_RNA)
where:
Base-Base interactions energy: -530.045
where: short stacking energy: -216.297
Base-Backbone interact. energy: 0.088
local terms energy: -249.222104
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -44.067
Dist. restrs. and SS energy: -167.400 (S_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: 194
Temperature: 0.900000
Total energy: -1476.784552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.784552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.784552 (E_RNA)
where:
Base-Base interactions energy: -891.997
where: short stacking energy: -352.923
Base-Backbone interact. energy: 5.052
local terms energy: -382.840139
where:
bonds (distance) C4'-P energy: -74.117
bonds (distance) P-C4' energy: -74.624
flat angles C4'-P-C4' energy: -81.136
flat angles P-C4'-P energy: -56.999
tors. eta vs tors. theta energy: -95.964
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1421.755479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.755479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.755479 (E_RNA)
where:
Base-Base interactions energy: -875.374
where: short stacking energy: -328.781
Base-Backbone interact. energy: -0.248
local terms energy: -348.133271
where:
bonds (distance) C4'-P energy: -57.247
bonds (distance) P-C4' energy: -77.114
flat angles C4'-P-C4' energy: -76.149
flat angles P-C4'-P energy: -56.005
tors. eta vs tors. theta energy: -81.617
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1365.102879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.102879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.902879 (E_RNA)
where:
Base-Base interactions energy: -802.439
where: short stacking energy: -339.528
Base-Backbone interact. energy: -3.165
local terms energy: -345.298476
where:
bonds (distance) C4'-P energy: -67.638
bonds (distance) P-C4' energy: -70.382
flat angles C4'-P-C4' energy: -74.760
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -79.999
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1332.942732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.942732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.542732 (E_RNA)
where:
Base-Base interactions energy: -767.571
where: short stacking energy: -321.638
Base-Backbone interact. energy: -0.088
local terms energy: -352.883366
where:
bonds (distance) C4'-P energy: -74.667
bonds (distance) P-C4' energy: -60.216
flat angles C4'-P-C4' energy: -85.390
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -82.432
Dist. restrs. and SS energy: -212.400 (S_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: 194
Temperature: 1.100000
Total energy: -1316.971721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.971721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.971721 (E_RNA)
where:
Base-Base interactions energy: -773.529
where: short stacking energy: -306.473
Base-Backbone interact. energy: -1.505
local terms energy: -334.938626
where:
bonds (distance) C4'-P energy: -58.774
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -74.045
flat angles P-C4'-P energy: -51.233
tors. eta vs tors. theta energy: -82.614
Dist. restrs. and SS energy: -207.000 (S_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: 194
Temperature: 1.150000
Total energy: -1219.128831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.128831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.928831 (E_RNA)
where:
Base-Base interactions energy: -706.866
where: short stacking energy: -291.289
Base-Backbone interact. energy: -2.798
local terms energy: -304.265010
where:
bonds (distance) C4'-P energy: -56.311
bonds (distance) P-C4' energy: -62.073
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -50.193
tors. eta vs tors. theta energy: -66.168
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1166.320861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.320861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.320861 (E_RNA)
where:
Base-Base interactions energy: -654.561
where: short stacking energy: -268.718
Base-Backbone interact. energy: -0.273
local terms energy: -304.487590
where:
bonds (distance) C4'-P energy: -64.509
bonds (distance) P-C4' energy: -61.698
flat angles C4'-P-C4' energy: -65.184
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -66.922
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1134.105246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.105246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.105246 (E_RNA)
where:
Base-Base interactions energy: -657.557
where: short stacking energy: -246.706
Base-Backbone interact. energy: 1.763
local terms energy: -280.311399
where:
bonds (distance) C4'-P energy: -59.419
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -38.974
tors. eta vs tors. theta energy: -52.804
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1164.256513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.256513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.056513 (E_RNA)
where:
Base-Base interactions energy: -686.991
where: short stacking energy: -270.468
Base-Backbone interact. energy: 4.941
local terms energy: -286.006630
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -60.567
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -72.455
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -926.382370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.382370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.182370 (E_RNA)
where:
Base-Base interactions energy: -478.984
where: short stacking energy: -189.347
Base-Backbone interact. energy: -0.719
local terms energy: -277.479076
where:
bonds (distance) C4'-P energy: -60.996
bonds (distance) P-C4' energy: -65.942
flat angles C4'-P-C4' energy: -55.807
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -49.434
Dist. restrs. and SS energy: -169.200 (S_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: 195
Temperature: 0.900000
Total energy: -1488.974407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.974407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.974407 (E_RNA)
where:
Base-Base interactions energy: -895.495
where: short stacking energy: -369.155
Base-Backbone interact. energy: -0.563
local terms energy: -385.915752
where:
bonds (distance) C4'-P energy: -65.412
bonds (distance) P-C4' energy: -82.956
flat angles C4'-P-C4' energy: -81.191
flat angles P-C4'-P energy: -54.706
tors. eta vs tors. theta energy: -101.651
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1413.236274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.236274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.636274 (E_RNA)
where:
Base-Base interactions energy: -858.648
where: short stacking energy: -350.568
Base-Backbone interact. energy: -2.989
local terms energy: -350.000110
where:
bonds (distance) C4'-P energy: -66.259
bonds (distance) P-C4' energy: -73.005
flat angles C4'-P-C4' energy: -72.466
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -86.618
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1338.595045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.595045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.595045 (E_RNA)
where:
Base-Base interactions energy: -775.384
where: short stacking energy: -318.084
Base-Backbone interact. energy: -3.525
local terms energy: -343.686540
where:
bonds (distance) C4'-P energy: -67.308
bonds (distance) P-C4' energy: -75.926
flat angles C4'-P-C4' energy: -79.817
flat angles P-C4'-P energy: -49.337
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: -216.000 (S_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: 195
Temperature: 1.050000
Total energy: -1355.264148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.264148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.464148 (E_RNA)
where:
Base-Base interactions energy: -792.078
where: short stacking energy: -315.177
Base-Backbone interact. energy: -0.867
local terms energy: -353.518889
where:
bonds (distance) C4'-P energy: -54.977
bonds (distance) P-C4' energy: -69.129
flat angles C4'-P-C4' energy: -86.962
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -89.982
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1314.729916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.729916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.929916 (E_RNA)
where:
Base-Base interactions energy: -778.073
where: short stacking energy: -332.623
Base-Backbone interact. energy: -1.570
local terms energy: -326.287519
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -63.249
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -51.635
tors. eta vs tors. theta energy: -80.050
Dist. restrs. and SS energy: -208.800 (S_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: 195
Temperature: 1.150000
Total energy: -1244.521549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.521549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.921549 (E_RNA)
where:
Base-Base interactions energy: -708.599
where: short stacking energy: -290.440
Base-Backbone interact. energy: -1.342
local terms energy: -323.979980
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -76.240
flat angles C4'-P-C4' energy: -66.311
flat angles P-C4'-P energy: -44.266
tors. eta vs tors. theta energy: -81.871
Dist. restrs. and SS energy: -210.600 (S_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: 195
Temperature: 1.200000
Total energy: -1138.150012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.150012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.350012 (E_RNA)
where:
Base-Base interactions energy: -637.088
where: short stacking energy: -253.775
Base-Backbone interact. energy: 2.309
local terms energy: -294.571139
where:
bonds (distance) C4'-P energy: -58.835
bonds (distance) P-C4' energy: -61.276
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -47.289
tors. eta vs tors. theta energy: -65.698
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1153.542829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.542829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.342829 (E_RNA)
where:
Base-Base interactions energy: -649.569
where: short stacking energy: -260.929
Base-Backbone interact. energy: -1.220
local terms energy: -306.553066
where:
bonds (distance) C4'-P energy: -60.835
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -47.556
tors. eta vs tors. theta energy: -64.789
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1098.114818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.114818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.714818 (E_RNA)
where:
Base-Base interactions energy: -620.638
where: short stacking energy: -242.111
Base-Backbone interact. energy: -3.292
local terms energy: -279.785266
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -63.146
flat angles C4'-P-C4' energy: -64.782
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -58.249
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -948.151264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.151264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.151264 (E_RNA)
where:
Base-Base interactions energy: -512.514
where: short stacking energy: -198.706
Base-Backbone interact. energy: -0.922
local terms energy: -263.714537
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -74.970
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -42.363
Dist. restrs. and SS energy: -171.000 (S_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: 196
Temperature: 0.900000
Total energy: -1455.716880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.716880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.716880 (E_RNA)
where:
Base-Base interactions energy: -881.089
where: short stacking energy: -357.357
Base-Backbone interact. energy: -0.638
local terms energy: -366.990028
where:
bonds (distance) C4'-P energy: -68.619
bonds (distance) P-C4' energy: -68.500
flat angles C4'-P-C4' energy: -81.211
flat angles P-C4'-P energy: -55.592
tors. eta vs tors. theta energy: -93.067
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1403.961991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.961991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.361991 (E_RNA)
where:
Base-Base interactions energy: -831.306
where: short stacking energy: -311.897
Base-Backbone interact. energy: -0.504
local terms energy: -370.551994
where:
bonds (distance) C4'-P energy: -77.890
bonds (distance) P-C4' energy: -79.734
flat angles C4'-P-C4' energy: -78.518
flat angles P-C4'-P energy: -53.061
tors. eta vs tors. theta energy: -81.349
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1354.629896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.629896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.629896 (E_RNA)
where:
Base-Base interactions energy: -783.520
where: short stacking energy: -305.585
Base-Backbone interact. energy: -2.256
local terms energy: -361.854138
where:
bonds (distance) C4'-P energy: -78.723
bonds (distance) P-C4' energy: -69.643
flat angles C4'-P-C4' energy: -77.922
flat angles P-C4'-P energy: -51.033
tors. eta vs tors. theta energy: -84.532
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1328.305580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.305580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.105580 (E_RNA)
where:
Base-Base interactions energy: -761.160
where: short stacking energy: -303.557
Base-Backbone interact. energy: -0.477
local terms energy: -352.468821
where:
bonds (distance) C4'-P energy: -76.041
bonds (distance) P-C4' energy: -66.004
flat angles C4'-P-C4' energy: -81.255
flat angles P-C4'-P energy: -55.390
tors. eta vs tors. theta energy: -73.778
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1239.907929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.907929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.307929 (E_RNA)
where:
Base-Base interactions energy: -693.114
where: short stacking energy: -281.867
Base-Backbone interact. energy: 0.879
local terms energy: -337.073299
where:
bonds (distance) C4'-P energy: -65.151
bonds (distance) P-C4' energy: -67.229
flat angles C4'-P-C4' energy: -80.165
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -73.142
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1231.019026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.019026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.619026 (E_RNA)
where:
Base-Base interactions energy: -680.851
where: short stacking energy: -276.060
Base-Backbone interact. energy: -2.346
local terms energy: -335.421507
where:
bonds (distance) C4'-P energy: -67.169
bonds (distance) P-C4' energy: -72.410
flat angles C4'-P-C4' energy: -81.887
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -72.050
Dist. restrs. and SS energy: -212.400 (S_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: 196
Temperature: 1.200000
Total energy: -1180.698596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.698596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.298596 (E_RNA)
where:
Base-Base interactions energy: -700.757
where: short stacking energy: -299.752
Base-Backbone interact. energy: -1.174
local terms energy: -284.367841
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -58.970
flat angles C4'-P-C4' energy: -66.880
flat angles P-C4'-P energy: -36.900
tors. eta vs tors. theta energy: -69.163
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1141.017396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.617396 (E_RNA)
where:
Base-Base interactions energy: -638.716
where: short stacking energy: -250.984
Base-Backbone interact. energy: 6.546
local terms energy: -305.447405
where:
bonds (distance) C4'-P energy: -58.682
bonds (distance) P-C4' energy: -66.235
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: -75.853
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1103.412300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.412300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.212300 (E_RNA)
where:
Base-Base interactions energy: -609.278
where: short stacking energy: -244.772
Base-Backbone interact. energy: -2.806
local terms energy: -295.128342
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -76.575
flat angles P-C4'-P energy: -46.016
tors. eta vs tors. theta energy: -50.112
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -965.067167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.067167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.867167 (E_RNA)
where:
Base-Base interactions energy: -533.656
where: short stacking energy: -234.340
Base-Backbone interact. energy: 2.203
local terms energy: -264.414296
where:
bonds (distance) C4'-P energy: -52.302
bonds (distance) P-C4' energy: -69.501
flat angles C4'-P-C4' energy: -48.325
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -53.645
Dist. restrs. and SS energy: -169.200 (S_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: 197
Temperature: 0.900000
Total energy: -1461.176411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.176411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.976411 (E_RNA)
where:
Base-Base interactions energy: -878.743
where: short stacking energy: -359.016
Base-Backbone interact. energy: 0.540
local terms energy: -377.774024
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -73.572
flat angles C4'-P-C4' energy: -88.315
flat angles P-C4'-P energy: -58.754
tors. eta vs tors. theta energy: -90.360
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1383.999662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.999662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.999662 (E_RNA)
where:
Base-Base interactions energy: -831.616
where: short stacking energy: -322.058
Base-Backbone interact. energy: -2.142
local terms energy: -352.241980
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -72.891
flat angles C4'-P-C4' energy: -69.009
flat angles P-C4'-P energy: -59.495
tors. eta vs tors. theta energy: -90.437
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1356.128060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.128060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.328060 (E_RNA)
where:
Base-Base interactions energy: -800.587
where: short stacking energy: -329.941
Base-Backbone interact. energy: -1.184
local terms energy: -345.556545
where:
bonds (distance) C4'-P energy: -73.408
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -77.107
flat angles P-C4'-P energy: -47.850
tors. eta vs tors. theta energy: -89.125
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1302.060069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.060069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.860069 (E_RNA)
where:
Base-Base interactions energy: -763.468
where: short stacking energy: -311.101
Base-Backbone interact. energy: -1.887
local terms energy: -322.505613
where:
bonds (distance) C4'-P energy: -68.338
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -65.780
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -80.373
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1260.751037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.751037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.351037 (E_RNA)
where:
Base-Base interactions energy: -712.295
where: short stacking energy: -279.250
Base-Backbone interact. energy: -1.577
local terms energy: -334.479035
where:
bonds (distance) C4'-P energy: -75.647
bonds (distance) P-C4' energy: -68.816
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -47.285
tors. eta vs tors. theta energy: -72.926
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1284.535142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.535142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.335142 (E_RNA)
where:
Base-Base interactions energy: -731.859
where: short stacking energy: -288.074
Base-Backbone interact. energy: -0.954
local terms energy: -337.521497
where:
bonds (distance) C4'-P energy: -69.804
bonds (distance) P-C4' energy: -70.924
flat angles C4'-P-C4' energy: -69.698
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: -72.965
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1202.553136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.553136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.553136 (E_RNA)
where:
Base-Base interactions energy: -691.763
where: short stacking energy: -285.366
Base-Backbone interact. energy: 0.060
local terms energy: -312.849989
where:
bonds (distance) C4'-P energy: -62.116
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -68.280
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1129.087316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.087316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.287316 (E_RNA)
where:
Base-Base interactions energy: -630.700
where: short stacking energy: -244.807
Base-Backbone interact. energy: -0.568
local terms energy: -298.018596
where:
bonds (distance) C4'-P energy: -66.948
bonds (distance) P-C4' energy: -66.645
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -53.353
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1132.607154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.607154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.207154 (E_RNA)
where:
Base-Base interactions energy: -639.482
where: short stacking energy: -263.028
Base-Backbone interact. energy: -1.782
local terms energy: -296.943344
where:
bonds (distance) C4'-P energy: -64.309
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -70.771
flat angles P-C4'-P energy: -46.229
tors. eta vs tors. theta energy: -52.714
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -954.195998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.195998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.395998 (E_RNA)
where:
Base-Base interactions energy: -522.350
where: short stacking energy: -209.792
Base-Backbone interact. energy: 1.287
local terms energy: -269.333003
where:
bonds (distance) C4'-P energy: -55.347
bonds (distance) P-C4' energy: -65.669
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -45.138
tors. eta vs tors. theta energy: -43.731
Dist. restrs. and SS energy: -163.800 (S_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: 198
Temperature: 0.900000
Total energy: -1471.201689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.201689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.801689 (E_RNA)
where:
Base-Base interactions energy: -888.233
where: short stacking energy: -353.640
Base-Backbone interact. energy: 0.032
local terms energy: -379.600972
where:
bonds (distance) C4'-P energy: -75.873
bonds (distance) P-C4' energy: -71.537
flat angles C4'-P-C4' energy: -83.929
flat angles P-C4'-P energy: -50.375
tors. eta vs tors. theta energy: -97.887
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1390.704235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.704235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.504235 (E_RNA)
where:
Base-Base interactions energy: -825.699
where: short stacking energy: -342.923
Base-Backbone interact. energy: -2.291
local terms energy: -366.514302
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -75.685
flat angles C4'-P-C4' energy: -84.346
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -85.461
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1357.927369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.927369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.727369 (E_RNA)
where:
Base-Base interactions energy: -800.425
where: short stacking energy: -319.449
Base-Backbone interact. energy: -1.926
local terms energy: -350.376617
where:
bonds (distance) C4'-P energy: -75.659
bonds (distance) P-C4' energy: -68.673
flat angles C4'-P-C4' energy: -67.679
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -89.726
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1317.605193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.605193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.605193 (E_RNA)
where:
Base-Base interactions energy: -756.169
where: short stacking energy: -287.692
Base-Backbone interact. energy: -1.990
local terms energy: -343.446083
where:
bonds (distance) C4'-P energy: -71.766
bonds (distance) P-C4' energy: -66.007
flat angles C4'-P-C4' energy: -76.337
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -83.324
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1295.618972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.618972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.018972 (E_RNA)
where:
Base-Base interactions energy: -742.771
where: short stacking energy: -301.112
Base-Backbone interact. energy: -2.728
local terms energy: -339.519957
where:
bonds (distance) C4'-P energy: -65.016
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -80.712
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -77.376
Dist. restrs. and SS energy: -210.600 (S_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: 198
Temperature: 1.150000
Total energy: -1192.948176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.948176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.748176 (E_RNA)
where:
Base-Base interactions energy: -666.667
where: short stacking energy: -273.986
Base-Backbone interact. energy: 3.224
local terms energy: -324.305001
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -76.584
flat angles C4'-P-C4' energy: -79.877
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -71.330
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1160.592363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.592363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.592363 (E_RNA)
where:
Base-Base interactions energy: -642.367
where: short stacking energy: -252.814
Base-Backbone interact. energy: -0.479
local terms energy: -310.745879
where:
bonds (distance) C4'-P energy: -55.934
bonds (distance) P-C4' energy: -76.005
flat angles C4'-P-C4' energy: -62.739
flat angles P-C4'-P energy: -50.098
tors. eta vs tors. theta energy: -65.971
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1162.160695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.160695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.960695 (E_RNA)
where:
Base-Base interactions energy: -691.859
where: short stacking energy: -279.494
Base-Backbone interact. energy: -1.041
local terms energy: -273.061406
where:
bonds (distance) C4'-P energy: -57.179
bonds (distance) P-C4' energy: -53.758
flat angles C4'-P-C4' energy: -65.004
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -70.284
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1097.046351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.046351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.646351 (E_RNA)
where:
Base-Base interactions energy: -626.615
where: short stacking energy: -241.763
Base-Backbone interact. energy: -2.070
local terms energy: -273.961878
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -75.593
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -50.993
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -951.915245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.915245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.115245 (E_RNA)
where:
Base-Base interactions energy: -556.087
where: short stacking energy: -225.789
Base-Backbone interact. energy: 2.703
local terms energy: -234.730604
where:
bonds (distance) C4'-P energy: -48.573
bonds (distance) P-C4' energy: -55.616
flat angles C4'-P-C4' energy: -52.487
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -48.786
Dist. restrs. and SS energy: -163.800 (S_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: 199
Temperature: 0.900000
Total energy: -1467.796872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.796872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.596872 (E_RNA)
where:
Base-Base interactions energy: -892.962
where: short stacking energy: -361.794
Base-Backbone interact. energy: -3.444
local terms energy: -366.190170
where:
bonds (distance) C4'-P energy: -67.930
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -78.463
flat angles P-C4'-P energy: -59.928
tors. eta vs tors. theta energy: -91.417
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1403.853364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.853364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.053364 (E_RNA)
where:
Base-Base interactions energy: -844.878
where: short stacking energy: -336.780
Base-Backbone interact. energy: -0.400
local terms energy: -358.774811
where:
bonds (distance) C4'-P energy: -73.008
bonds (distance) P-C4' energy: -75.430
flat angles C4'-P-C4' energy: -75.764
flat angles P-C4'-P energy: -48.992
tors. eta vs tors. theta energy: -85.581
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1361.913392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.913392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.713392 (E_RNA)
where:
Base-Base interactions energy: -776.253
where: short stacking energy: -317.672
Base-Backbone interact. energy: -3.200
local terms energy: -377.260925
where:
bonds (distance) C4'-P energy: -75.460
bonds (distance) P-C4' energy: -72.556
flat angles C4'-P-C4' energy: -79.201
flat angles P-C4'-P energy: -55.287
tors. eta vs tors. theta energy: -94.758
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1311.615494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.615494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.215494 (E_RNA)
where:
Base-Base interactions energy: -763.047
where: short stacking energy: -304.488
Base-Backbone interact. energy: 0.572
local terms energy: -336.739788
where:
bonds (distance) C4'-P energy: -69.953
bonds (distance) P-C4' energy: -65.926
flat angles C4'-P-C4' energy: -64.754
flat angles P-C4'-P energy: -56.835
tors. eta vs tors. theta energy: -79.271
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1303.744291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.744291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.544291 (E_RNA)
where:
Base-Base interactions energy: -751.221
where: short stacking energy: -317.488
Base-Backbone interact. energy: -1.618
local terms energy: -336.704924
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -74.281
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -83.711
Dist. restrs. and SS energy: -214.200 (S_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: 199
Temperature: 1.150000
Total energy: -1197.509926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.509926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.709926 (E_RNA)
where:
Base-Base interactions energy: -680.340
where: short stacking energy: -264.824
Base-Backbone interact. energy: 0.303
local terms energy: -317.672908
where:
bonds (distance) C4'-P energy: -66.005
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -70.062
flat angles P-C4'-P energy: -50.479
tors. eta vs tors. theta energy: -66.814
Dist. restrs. and SS energy: -199.800 (S_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: 199
Temperature: 1.200000
Total energy: -1134.887093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.887093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.287093 (E_RNA)
where:
Base-Base interactions energy: -635.884
where: short stacking energy: -254.112
Base-Backbone interact. energy: -0.713
local terms energy: -296.689845
where:
bonds (distance) C4'-P energy: -62.385
bonds (distance) P-C4' energy: -63.488
flat angles C4'-P-C4' energy: -52.703
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -73.125
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1190.769585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.769585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.969585 (E_RNA)
where:
Base-Base interactions energy: -675.121
where: short stacking energy: -268.891
Base-Backbone interact. energy: 0.014
local terms energy: -315.863263
where:
bonds (distance) C4'-P energy: -57.039
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -73.149
flat angles P-C4'-P energy: -50.830
tors. eta vs tors. theta energy: -72.468
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1077.652636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.652636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.852636 (E_RNA)
where:
Base-Base interactions energy: -612.009
where: short stacking energy: -237.683
Base-Backbone interact. energy: 0.670
local terms energy: -266.513812
where:
bonds (distance) C4'-P energy: -40.737
bonds (distance) P-C4' energy: -76.965
flat angles C4'-P-C4' energy: -69.138
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -57.158
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -929.914367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.914367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.514367 (E_RNA)
where:
Base-Base interactions energy: -509.914
where: short stacking energy: -208.655
Base-Backbone interact. energy: 0.031
local terms energy: -252.631874
where:
bonds (distance) C4'-P energy: -49.056
bonds (distance) P-C4' energy: -72.368
flat angles C4'-P-C4' energy: -61.302
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -42.570
Dist. restrs. and SS energy: -167.400 (S_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: 200
Temperature: 0.900000
Total energy: -1465.255085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.255085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.455085 (E_RNA)
where:
Base-Base interactions energy: -877.406
where: short stacking energy: -359.123
Base-Backbone interact. energy: -3.279
local terms energy: -375.769931
where:
bonds (distance) C4'-P energy: -71.036
bonds (distance) P-C4' energy: -71.589
flat angles C4'-P-C4' energy: -77.420
flat angles P-C4'-P energy: -55.501
tors. eta vs tors. theta energy: -100.224
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1410.690753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.690753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.490753 (E_RNA)
where:
Base-Base interactions energy: -853.541
where: short stacking energy: -341.412
Base-Backbone interact. energy: -3.840
local terms energy: -357.110105
where:
bonds (distance) C4'-P energy: -67.669
bonds (distance) P-C4' energy: -64.574
flat angles C4'-P-C4' energy: -82.551
flat angles P-C4'-P energy: -51.285
tors. eta vs tors. theta energy: -91.031
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1386.369296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.369296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.369296 (E_RNA)
where:
Base-Base interactions energy: -808.798
where: short stacking energy: -335.467
Base-Backbone interact. energy: 0.261
local terms energy: -370.832259
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -72.588
flat angles C4'-P-C4' energy: -83.869
flat angles P-C4'-P energy: -55.291
tors. eta vs tors. theta energy: -89.194
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1292.590761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.590761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.790761 (E_RNA)
where:
Base-Base interactions energy: -752.613
where: short stacking energy: -292.240
Base-Backbone interact. energy: 2.416
local terms energy: -324.594065
where:
bonds (distance) C4'-P energy: -73.209
bonds (distance) P-C4' energy: -68.192
flat angles C4'-P-C4' energy: -69.997
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -69.084
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1269.825743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.825743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.425743 (E_RNA)
where:
Base-Base interactions energy: -720.626
where: short stacking energy: -295.586
Base-Backbone interact. energy: -3.116
local terms energy: -333.683922
where:
bonds (distance) C4'-P energy: -66.520
bonds (distance) P-C4' energy: -69.261
flat angles C4'-P-C4' energy: -79.858
flat angles P-C4'-P energy: -44.228
tors. eta vs tors. theta energy: -73.817
Dist. restrs. and SS energy: -212.400 (S_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: 200
Temperature: 1.150000
Total energy: -1220.728067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.728067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.528067 (E_RNA)
where:
Base-Base interactions energy: -718.198
where: short stacking energy: -303.434
Base-Backbone interact. energy: 3.598
local terms energy: -309.928043
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -58.968
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -74.821
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1171.540781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.540781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.740781 (E_RNA)
where:
Base-Base interactions energy: -680.495
where: short stacking energy: -276.963
Base-Backbone interact. energy: -1.264
local terms energy: -289.981671
where:
bonds (distance) C4'-P energy: -65.267
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -71.797
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1158.021785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.021785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.221785 (E_RNA)
where:
Base-Base interactions energy: -636.140
where: short stacking energy: -249.984
Base-Backbone interact. energy: -0.318
local terms energy: -321.763724
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -68.769
flat angles C4'-P-C4' energy: -76.243
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -67.728
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1084.639601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.639601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.839601 (E_RNA)
where:
Base-Base interactions energy: -617.648
where: short stacking energy: -246.039
Base-Backbone interact. energy: -2.068
local terms energy: -265.123134
where:
bonds (distance) C4'-P energy: -54.636
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -64.187
flat angles P-C4'-P energy: -37.349
tors. eta vs tors. theta energy: -51.958
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -987.608545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.608545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.408545 (E_RNA)
where:
Base-Base interactions energy: -576.089
where: short stacking energy: -223.171
Base-Backbone interact. energy: -1.396
local terms energy: -249.922842
where:
bonds (distance) C4'-P energy: -58.488
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -63.138
flat angles P-C4'-P energy: -40.017
tors. eta vs tors. theta energy: -34.678
Dist. restrs. and SS energy: -160.200 (S_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: 201
Temperature: 0.900000
Total energy: -1456.715938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.715938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.915938 (E_RNA)
where:
Base-Base interactions energy: -882.088
where: short stacking energy: -363.042
Base-Backbone interact. energy: -0.441
local terms energy: -365.387065
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -68.697
flat angles C4'-P-C4' energy: -82.182
flat angles P-C4'-P energy: -48.026
tors. eta vs tors. theta energy: -98.579
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1421.572902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.572902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.772902 (E_RNA)
where:
Base-Base interactions energy: -860.468
where: short stacking energy: -322.634
Base-Backbone interact. energy: -0.771
local terms energy: -360.533958
where:
bonds (distance) C4'-P energy: -73.489
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -83.601
flat angles P-C4'-P energy: -51.080
tors. eta vs tors. theta energy: -87.750
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1381.888063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.888063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.888063 (E_RNA)
where:
Base-Base interactions energy: -812.985
where: short stacking energy: -344.871
Base-Backbone interact. energy: -0.943
local terms energy: -360.959633
where:
bonds (distance) C4'-P energy: -72.991
bonds (distance) P-C4' energy: -63.902
flat angles C4'-P-C4' energy: -77.194
flat angles P-C4'-P energy: -47.623
tors. eta vs tors. theta energy: -99.250
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1331.941077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.941077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.341077 (E_RNA)
where:
Base-Base interactions energy: -787.214
where: short stacking energy: -304.952
Base-Backbone interact. energy: -2.256
local terms energy: -331.870750
where:
bonds (distance) C4'-P energy: -67.260
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -68.090
flat angles P-C4'-P energy: -41.221
tors. eta vs tors. theta energy: -85.303
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1270.922576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.922576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.922576 (E_RNA)
where:
Base-Base interactions energy: -725.403
where: short stacking energy: -286.087
Base-Backbone interact. energy: 1.139
local terms energy: -330.658703
where:
bonds (distance) C4'-P energy: -64.001
bonds (distance) P-C4' energy: -65.657
flat angles C4'-P-C4' energy: -74.364
flat angles P-C4'-P energy: -50.123
tors. eta vs tors. theta energy: -76.513
Dist. restrs. and SS energy: -216.000 (S_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: 201
Temperature: 1.150000
Total energy: -1233.069644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.069644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.069644 (E_RNA)
where:
Base-Base interactions energy: -697.039
where: short stacking energy: -270.441
Base-Backbone interact. energy: -1.839
local terms energy: -327.191031
where:
bonds (distance) C4'-P energy: -74.414
bonds (distance) P-C4' energy: -70.264
flat angles C4'-P-C4' energy: -69.905
flat angles P-C4'-P energy: -53.566
tors. eta vs tors. theta energy: -59.043
Dist. restrs. and SS energy: -207.000 (S_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: -1182.007310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.007310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.607310 (E_RNA)
where:
Base-Base interactions energy: -686.600
where: short stacking energy: -279.447
Base-Backbone interact. energy: -0.366
local terms energy: -300.641387
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -63.268
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -76.804
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1112.123740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.123740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.123740 (E_RNA)
where:
Base-Base interactions energy: -629.848
where: short stacking energy: -258.910
Base-Backbone interact. energy: -0.522
local terms energy: -274.753096
where:
bonds (distance) C4'-P energy: -57.298
bonds (distance) P-C4' energy: -51.709
flat angles C4'-P-C4' energy: -60.438
flat angles P-C4'-P energy: -45.730
tors. eta vs tors. theta energy: -59.578
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1138.033858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.033858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.033858 (E_RNA)
where:
Base-Base interactions energy: -635.991
where: short stacking energy: -250.162
Base-Backbone interact. energy: -1.411
local terms energy: -311.631951
where:
bonds (distance) C4'-P energy: -70.945
bonds (distance) P-C4' energy: -71.368
flat angles C4'-P-C4' energy: -63.870
flat angles P-C4'-P energy: -45.617
tors. eta vs tors. theta energy: -59.832
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1017.410835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.410835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.810835 (E_RNA)
where:
Base-Base interactions energy: -559.079
where: short stacking energy: -228.068
Base-Backbone interact. energy: 0.017
local terms energy: -274.748721
where:
bonds (distance) C4'-P energy: -49.512
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -59.301
flat angles P-C4'-P energy: -45.552
tors. eta vs tors. theta energy: -60.338
Dist. restrs. and SS energy: -183.600 (S_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: 202
Temperature: 0.900000
Total energy: -1455.067349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.067349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.267349 (E_RNA)
where:
Base-Base interactions energy: -876.246
where: short stacking energy: -370.162
Base-Backbone interact. energy: -0.561
local terms energy: -369.459966
where:
bonds (distance) C4'-P energy: -56.901
bonds (distance) P-C4' energy: -74.067
flat angles C4'-P-C4' energy: -90.805
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -93.965
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1428.627017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.627017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.027017 (E_RNA)
where:
Base-Base interactions energy: -865.401
where: short stacking energy: -326.526
Base-Backbone interact. energy: -4.603
local terms energy: -357.022383
where:
bonds (distance) C4'-P energy: -75.855
bonds (distance) P-C4' energy: -58.367
flat angles C4'-P-C4' energy: -82.803
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -90.855
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1385.551605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.551605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.751605 (E_RNA)
where:
Base-Base interactions energy: -812.274
where: short stacking energy: -345.813
Base-Backbone interact. energy: -2.892
local terms energy: -361.585410
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -75.054
flat angles C4'-P-C4' energy: -73.530
flat angles P-C4'-P energy: -48.865
tors. eta vs tors. theta energy: -98.596
Dist. restrs. and SS energy: -208.800 (S_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: 202
Temperature: 1.050000
Total energy: -1341.131959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.131959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.531959 (E_RNA)
where:
Base-Base interactions energy: -797.216
where: short stacking energy: -325.790
Base-Backbone interact. energy: 0.370
local terms energy: -333.686000
where:
bonds (distance) C4'-P energy: -67.704
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -77.864
flat angles P-C4'-P energy: -45.477
tors. eta vs tors. theta energy: -76.892
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1252.250572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.250572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.050572 (E_RNA)
where:
Base-Base interactions energy: -729.029
where: short stacking energy: -289.797
Base-Backbone interact. energy: -2.861
local terms energy: -306.160381
where:
bonds (distance) C4'-P energy: -57.655
bonds (distance) P-C4' energy: -63.149
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -73.277
Dist. restrs. and SS energy: -214.200 (S_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: 202
Temperature: 1.150000
Total energy: -1244.406465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.406465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.206465 (E_RNA)
where:
Base-Base interactions energy: -721.360
where: short stacking energy: -290.616
Base-Backbone interact. energy: 3.706
local terms energy: -312.551857
where:
bonds (distance) C4'-P energy: -64.838
bonds (distance) P-C4' energy: -63.666
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -46.415
tors. eta vs tors. theta energy: -73.365
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1152.896733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.896733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.096733 (E_RNA)
where:
Base-Base interactions energy: -681.688
where: short stacking energy: -263.170
Base-Backbone interact. energy: 0.325
local terms energy: -271.733464
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -63.335
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -74.189
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1123.192787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.192787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.192787 (E_RNA)
where:
Base-Base interactions energy: -626.619
where: short stacking energy: -263.357
Base-Backbone interact. energy: -2.072
local terms energy: -305.502280
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -74.145
flat angles C4'-P-C4' energy: -67.233
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -66.707
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1143.792122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.792122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.992122 (E_RNA)
where:
Base-Base interactions energy: -642.130
where: short stacking energy: -261.780
Base-Backbone interact. energy: -1.914
local terms energy: -299.947778
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -70.557
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -64.048
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1017.232818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.232818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.832818 (E_RNA)
where:
Base-Base interactions energy: -572.300
where: short stacking energy: -226.964
Base-Backbone interact. energy: -0.789
local terms energy: -258.743660
where:
bonds (distance) C4'-P energy: -54.640
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -63.239
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -51.112
Dist. restrs. and SS energy: -185.400 (S_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: 203
Temperature: 0.900000
Total energy: -1444.616209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.616209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.816209 (E_RNA)
where:
Base-Base interactions energy: -876.423
where: short stacking energy: -354.852
Base-Backbone interact. energy: 2.029
local terms energy: -361.422321
where:
bonds (distance) C4'-P energy: -65.727
bonds (distance) P-C4' energy: -75.409
flat angles C4'-P-C4' energy: -75.234
flat angles P-C4'-P energy: -53.216
tors. eta vs tors. theta energy: -91.836
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1426.950202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.950202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.950202 (E_RNA)
where:
Base-Base interactions energy: -854.804
where: short stacking energy: -324.182
Base-Backbone interact. energy: -2.411
local terms energy: -371.735511
where:
bonds (distance) C4'-P energy: -70.257
bonds (distance) P-C4' energy: -71.693
flat angles C4'-P-C4' energy: -85.856
flat angles P-C4'-P energy: -63.550
tors. eta vs tors. theta energy: -80.379
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1412.782279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.782279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.982279 (E_RNA)
where:
Base-Base interactions energy: -822.520
where: short stacking energy: -336.831
Base-Backbone interact. energy: 0.757
local terms energy: -382.219908
where:
bonds (distance) C4'-P energy: -70.820
bonds (distance) P-C4' energy: -77.833
flat angles C4'-P-C4' energy: -84.033
flat angles P-C4'-P energy: -55.580
tors. eta vs tors. theta energy: -93.954
Dist. restrs. and SS energy: -208.800 (S_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: 203
Temperature: 1.050000
Total energy: -1335.285796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.285796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.285796 (E_RNA)
where:
Base-Base interactions energy: -782.748
where: short stacking energy: -309.668
Base-Backbone interact. energy: -0.288
local terms energy: -336.249262
where:
bonds (distance) C4'-P energy: -71.843
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -75.642
flat angles P-C4'-P energy: -37.818
tors. eta vs tors. theta energy: -84.734
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1239.862264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.862264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.462264 (E_RNA)
where:
Base-Base interactions energy: -742.419
where: short stacking energy: -295.896
Base-Backbone interact. energy: -2.601
local terms energy: -291.442582
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -69.525
flat angles C4'-P-C4' energy: -66.828
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -76.745
Dist. restrs. and SS energy: -203.400 (S_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: 203
Temperature: 1.150000
Total energy: -1244.628832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.628832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.828832 (E_RNA)
where:
Base-Base interactions energy: -712.777
where: short stacking energy: -292.162
Base-Backbone interact. energy: -2.260
local terms energy: -320.792199
where:
bonds (distance) C4'-P energy: -61.950
bonds (distance) P-C4' energy: -70.695
flat angles C4'-P-C4' energy: -69.312
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -78.165
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1197.137215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.137215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.537215 (E_RNA)
where:
Base-Base interactions energy: -702.962
where: short stacking energy: -284.302
Base-Backbone interact. energy: -1.098
local terms energy: -291.476560
where:
bonds (distance) C4'-P energy: -43.494
bonds (distance) P-C4' energy: -59.265
flat angles C4'-P-C4' energy: -69.823
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: -72.937
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1103.407269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.407269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.407269 (E_RNA)
where:
Base-Base interactions energy: -637.761
where: short stacking energy: -265.304
Base-Backbone interact. energy: 0.393
local terms energy: -268.040200
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -59.659
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: -51.086
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1095.499498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.499498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.899498 (E_RNA)
where:
Base-Base interactions energy: -627.387
where: short stacking energy: -233.697
Base-Backbone interact. energy: 1.243
local terms energy: -267.754914
where:
bonds (distance) C4'-P energy: -67.196
bonds (distance) P-C4' energy: -64.599
flat angles C4'-P-C4' energy: -57.390
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -41.097
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1042.800288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.800288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.000288 (E_RNA)
where:
Base-Base interactions energy: -598.769
where: short stacking energy: -235.924
Base-Backbone interact. energy: 0.009
local terms energy: -253.240369
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -67.866
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -48.374
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1469.071090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.071090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.271090 (E_RNA)
where:
Base-Base interactions energy: -899.274
where: short stacking energy: -351.233
Base-Backbone interact. energy: -4.225
local terms energy: -365.772237
where:
bonds (distance) C4'-P energy: -71.206
bonds (distance) P-C4' energy: -68.621
flat angles C4'-P-C4' energy: -77.498
flat angles P-C4'-P energy: -58.159
tors. eta vs tors. theta energy: -90.288
Dist. restrs. and SS energy: -199.800 (S_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: 204
Temperature: 0.950000
Total energy: -1421.221753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.221753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.021753 (E_RNA)
where:
Base-Base interactions energy: -854.772
where: short stacking energy: -350.284
Base-Backbone interact. energy: 2.331
local terms energy: -363.581326
where:
bonds (distance) C4'-P energy: -67.575
bonds (distance) P-C4' energy: -76.972
flat angles C4'-P-C4' energy: -81.028
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -98.910
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1383.461162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.461162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.461162 (E_RNA)
where:
Base-Base interactions energy: -796.598
where: short stacking energy: -343.809
Base-Backbone interact. energy: 1.311
local terms energy: -381.174941
where:
bonds (distance) C4'-P energy: -66.667
bonds (distance) P-C4' energy: -77.143
flat angles C4'-P-C4' energy: -85.763
flat angles P-C4'-P energy: -58.106
tors. eta vs tors. theta energy: -93.496
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1323.968373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.968373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.168373 (E_RNA)
where:
Base-Base interactions energy: -774.860
where: short stacking energy: -309.356
Base-Backbone interact. energy: -1.435
local terms energy: -329.874281
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -61.762
flat angles C4'-P-C4' energy: -75.369
flat angles P-C4'-P energy: -53.932
tors. eta vs tors. theta energy: -81.085
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1250.881686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.881686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.481686 (E_RNA)
where:
Base-Base interactions energy: -734.180
where: short stacking energy: -274.632
Base-Backbone interact. energy: -1.226
local terms energy: -312.075371
where:
bonds (distance) C4'-P energy: -67.767
bonds (distance) P-C4' energy: -60.285
flat angles C4'-P-C4' energy: -70.715
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: -73.451
Dist. restrs. and SS energy: -203.400 (S_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: 204
Temperature: 1.150000
Total energy: -1227.510059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.510059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.510059 (E_RNA)
where:
Base-Base interactions energy: -693.992
where: short stacking energy: -281.507
Base-Backbone interact. energy: 1.343
local terms energy: -318.861591
where:
bonds (distance) C4'-P energy: -54.651
bonds (distance) P-C4' energy: -73.148
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -77.650
Dist. restrs. and SS energy: -216.000 (S_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: -1197.364683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.364683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.764683 (E_RNA)
where:
Base-Base interactions energy: -677.881
where: short stacking energy: -275.875
Base-Backbone interact. energy: -1.103
local terms energy: -316.780852
where:
bonds (distance) C4'-P energy: -65.799
bonds (distance) P-C4' energy: -70.446
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -44.747
tors. eta vs tors. theta energy: -69.063
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1136.562723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.562723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.562723 (E_RNA)
where:
Base-Base interactions energy: -631.640
where: short stacking energy: -245.473
Base-Backbone interact. energy: -2.127
local terms energy: -295.796278
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -59.727
flat angles C4'-P-C4' energy: -75.536
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -60.796
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1111.722189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.722189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.122189 (E_RNA)
where:
Base-Base interactions energy: -639.631
where: short stacking energy: -257.616
Base-Backbone interact. energy: -1.203
local terms energy: -278.288030
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -57.221
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1085.175469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.175469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.975469 (E_RNA)
where:
Base-Base interactions energy: -599.761
where: short stacking energy: -245.738
Base-Backbone interact. energy: 1.636
local terms energy: -299.850174
where:
bonds (distance) C4'-P energy: -71.804
bonds (distance) P-C4' energy: -70.185
flat angles C4'-P-C4' energy: -59.702
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -63.850
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1478.023260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.023260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.223260 (E_RNA)
where:
Base-Base interactions energy: -879.490
where: short stacking energy: -347.494
Base-Backbone interact. energy: -2.974
local terms energy: -395.759903
where:
bonds (distance) C4'-P energy: -76.197
bonds (distance) P-C4' energy: -77.495
flat angles C4'-P-C4' energy: -87.541
flat angles P-C4'-P energy: -63.000
tors. eta vs tors. theta energy: -91.526
Dist. restrs. and SS energy: -199.800 (S_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: 205
Temperature: 0.950000
Total energy: -1433.654749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.654749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.654749 (E_RNA)
where:
Base-Base interactions energy: -853.668
where: short stacking energy: -351.885
Base-Backbone interact. energy: 1.273
local terms energy: -374.259634
where:
bonds (distance) C4'-P energy: -60.882
bonds (distance) P-C4' energy: -72.827
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -94.646
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1394.117640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.117640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.317640 (E_RNA)
where:
Base-Base interactions energy: -826.364
where: short stacking energy: -338.603
Base-Backbone interact. energy: -1.055
local terms energy: -366.898373
where:
bonds (distance) C4'-P energy: -67.298
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -80.144
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -96.406
Dist. restrs. and SS energy: -199.800 (S_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: 205
Temperature: 1.050000
Total energy: -1302.908044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.908044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.108044 (E_RNA)
where:
Base-Base interactions energy: -764.152
where: short stacking energy: -301.395
Base-Backbone interact. energy: -3.240
local terms energy: -326.715820
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -76.820
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -44.667
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1271.013007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.013007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.413007 (E_RNA)
where:
Base-Base interactions energy: -728.556
where: short stacking energy: -305.696
Base-Backbone interact. energy: -1.563
local terms energy: -330.293892
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -71.573
flat angles P-C4'-P energy: -55.582
tors. eta vs tors. theta energy: -70.314
Dist. restrs. and SS energy: -210.600 (S_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: -1204.437909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.437909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.237909 (E_RNA)
where:
Base-Base interactions energy: -735.121
where: short stacking energy: -273.455
Base-Backbone interact. energy: -3.433
local terms energy: -269.683583
where:
bonds (distance) C4'-P energy: -62.369
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -57.104
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -64.128
Dist. restrs. and SS energy: -196.200 (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: 205
Temperature: 1.200000
Total energy: -1177.331297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.331297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.931297 (E_RNA)
where:
Base-Base interactions energy: -665.206
where: short stacking energy: -253.241
Base-Backbone interact. energy: -0.664
local terms energy: -308.060789
where:
bonds (distance) C4'-P energy: -53.767
bonds (distance) P-C4' energy: -67.078
flat angles C4'-P-C4' energy: -67.734
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -71.794
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1114.856914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.856914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.456914 (E_RNA)
where:
Base-Base interactions energy: -631.634
where: short stacking energy: -257.845
Base-Backbone interact. energy: -1.372
local terms energy: -278.449933
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -77.410
flat angles C4'-P-C4' energy: -62.829
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -52.891
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1081.378288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.378288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.178288 (E_RNA)
where:
Base-Base interactions energy: -624.533
where: short stacking energy: -228.309
Base-Backbone interact. energy: 2.487
local terms energy: -263.132359
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -57.703
flat angles C4'-P-C4' energy: -64.706
flat angles P-C4'-P energy: -42.992
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1025.065052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.065052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.865052 (E_RNA)
where:
Base-Base interactions energy: -597.081
where: short stacking energy: -234.641
Base-Backbone interact. energy: -1.835
local terms energy: -238.949188
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -51.631
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -29.091
tors. eta vs tors. theta energy: -53.553
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1470.894079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.894079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.294079 (E_RNA)
where:
Base-Base interactions energy: -883.061
where: short stacking energy: -329.691
Base-Backbone interact. energy: -0.700
local terms energy: -385.533106
where:
bonds (distance) C4'-P energy: -77.930
bonds (distance) P-C4' energy: -79.331
flat angles C4'-P-C4' energy: -85.317
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: -91.977
Dist. restrs. and SS energy: -201.600 (S_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: 206
Temperature: 0.950000
Total energy: -1448.155868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.155868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.355868 (E_RNA)
where:
Base-Base interactions energy: -875.275
where: short stacking energy: -352.770
Base-Backbone interact. energy: -0.451
local terms energy: -363.628933
where:
bonds (distance) C4'-P energy: -66.389
bonds (distance) P-C4' energy: -71.272
flat angles C4'-P-C4' energy: -80.841
flat angles P-C4'-P energy: -54.680
tors. eta vs tors. theta energy: -90.447
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1390.387164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.387164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.787164 (E_RNA)
where:
Base-Base interactions energy: -811.281
where: short stacking energy: -342.018
Base-Backbone interact. energy: -1.717
local terms energy: -375.788562
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -77.568
flat angles C4'-P-C4' energy: -76.857
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -96.565
Dist. restrs. and SS energy: -201.600 (S_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: 206
Temperature: 1.050000
Total energy: -1330.771206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.771206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.971206 (E_RNA)
where:
Base-Base interactions energy: -779.061
where: short stacking energy: -317.515
Base-Backbone interact. energy: 3.093
local terms energy: -337.002673
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -67.146
flat angles C4'-P-C4' energy: -72.513
flat angles P-C4'-P energy: -48.490
tors. eta vs tors. theta energy: -84.652
Dist. restrs. and SS energy: -217.800 (S_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: -1234.904280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.904280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.104280 (E_RNA)
where:
Base-Base interactions energy: -709.300
where: short stacking energy: -285.153
Base-Backbone interact. energy: -1.894
local terms energy: -323.910610
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -66.587
flat angles C4'-P-C4' energy: -82.687
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -77.542
Dist. restrs. and SS energy: -199.800 (S_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: 206
Temperature: 1.150000
Total energy: -1203.638463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.638463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.838463 (E_RNA)
where:
Base-Base interactions energy: -701.856
where: short stacking energy: -292.894
Base-Backbone interact. energy: -0.981
local terms energy: -301.001721
where:
bonds (distance) C4'-P energy: -69.008
bonds (distance) P-C4' energy: -66.457
flat angles C4'-P-C4' energy: -69.607
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -70.234
Dist. restrs. and SS energy: -199.800 (S_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: 206
Temperature: 1.200000
Total energy: -1195.859555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.859555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.659555 (E_RNA)
where:
Base-Base interactions energy: -691.936
where: short stacking energy: -283.890
Base-Backbone interact. energy: 1.728
local terms energy: -291.450874
where:
bonds (distance) C4'-P energy: -62.560
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -66.687
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -59.870
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1123.778967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.778967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.178967 (E_RNA)
where:
Base-Base interactions energy: -625.817
where: short stacking energy: -253.954
Base-Backbone interact. energy: 1.559
local terms energy: -297.921050
where:
bonds (distance) C4'-P energy: -64.598
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -68.709
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -57.935
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1121.286671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.286671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.086671 (E_RNA)
where:
Base-Base interactions energy: -637.330
where: short stacking energy: -270.926
Base-Backbone interact. energy: -2.074
local terms energy: -285.682885
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -53.092
flat angles C4'-P-C4' energy: -60.806
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -62.442
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1034.839470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.839470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.439470 (E_RNA)
where:
Base-Base interactions energy: -585.453
where: short stacking energy: -231.301
Base-Backbone interact. energy: 3.675
local terms energy: -267.661119
where:
bonds (distance) C4'-P energy: -74.974
bonds (distance) P-C4' energy: -36.799
flat angles C4'-P-C4' energy: -64.818
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -61.742
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1457.078494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.078494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.278494 (E_RNA)
where:
Base-Base interactions energy: -876.508
where: short stacking energy: -339.643
Base-Backbone interact. energy: -4.224
local terms energy: -376.546172
where:
bonds (distance) C4'-P energy: -72.483
bonds (distance) P-C4' energy: -75.780
flat angles C4'-P-C4' energy: -73.962
flat angles P-C4'-P energy: -59.354
tors. eta vs tors. theta energy: -94.968
Dist. restrs. and SS energy: -199.800 (S_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: 207
Temperature: 0.950000
Total energy: -1436.028634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.028634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.228634 (E_RNA)
where:
Base-Base interactions energy: -861.221
where: short stacking energy: -341.010
Base-Backbone interact. energy: -3.256
local terms energy: -362.751684
where:
bonds (distance) C4'-P energy: -61.874
bonds (distance) P-C4' energy: -69.758
flat angles C4'-P-C4' energy: -79.922
flat angles P-C4'-P energy: -55.848
tors. eta vs tors. theta energy: -95.351
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1405.966763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.966763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.966763 (E_RNA)
where:
Base-Base interactions energy: -813.140
where: short stacking energy: -343.743
Base-Backbone interact. energy: -3.580
local terms energy: -382.246908
where:
bonds (distance) C4'-P energy: -74.077
bonds (distance) P-C4' energy: -75.545
flat angles C4'-P-C4' energy: -76.519
flat angles P-C4'-P energy: -54.516
tors. eta vs tors. theta energy: -101.589
Dist. restrs. and SS energy: -207.000 (S_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: 207
Temperature: 1.050000
Total energy: -1330.281623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.281623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.881623 (E_RNA)
where:
Base-Base interactions energy: -758.380
where: short stacking energy: -301.867
Base-Backbone interact. energy: -1.248
local terms energy: -358.254175
where:
bonds (distance) C4'-P energy: -74.084
bonds (distance) P-C4' energy: -72.155
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -47.508
tors. eta vs tors. theta energy: -91.827
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1249.687464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.687464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.687464 (E_RNA)
where:
Base-Base interactions energy: -716.506
where: short stacking energy: -281.671
Base-Backbone interact. energy: 0.402
local terms energy: -335.583248
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -65.865
flat angles C4'-P-C4' energy: -82.241
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -73.300
Dist. restrs. and SS energy: -198.000 (S_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: 207
Temperature: 1.150000
Total energy: -1239.401724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.401724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.601724 (E_RNA)
where:
Base-Base interactions energy: -704.948
where: short stacking energy: -287.697
Base-Backbone interact. energy: -1.868
local terms energy: -323.785827
where:
bonds (distance) C4'-P energy: -61.538
bonds (distance) P-C4' energy: -61.886
flat angles C4'-P-C4' energy: -76.450
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -81.543
Dist. restrs. and SS energy: -208.800 (S_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: 207
Temperature: 1.200000
Total energy: -1169.188565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.188565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.988565 (E_RNA)
where:
Base-Base interactions energy: -656.743
where: short stacking energy: -265.178
Base-Backbone interact. energy: 1.958
local terms energy: -309.203492
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -71.071
flat angles C4'-P-C4' energy: -60.426
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -73.863
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1145.435020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.435020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.235020 (E_RNA)
where:
Base-Base interactions energy: -648.537
where: short stacking energy: -270.702
Base-Backbone interact. energy: -1.023
local terms energy: -299.674506
where:
bonds (distance) C4'-P energy: -54.564
bonds (distance) P-C4' energy: -57.608
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -72.221
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1085.767273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.767273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.167273 (E_RNA)
where:
Base-Base interactions energy: -625.789
where: short stacking energy: -244.359
Base-Backbone interact. energy: 2.788
local terms energy: -261.166171
where:
bonds (distance) C4'-P energy: -60.774
bonds (distance) P-C4' energy: -63.275
flat angles C4'-P-C4' energy: -66.150
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1045.559014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.559014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.759014 (E_RNA)
where:
Base-Base interactions energy: -591.164
where: short stacking energy: -227.123
Base-Backbone interact. energy: 1.898
local terms energy: -265.492412
where:
bonds (distance) C4'-P energy: -65.314
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -62.970
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -42.789
Dist. restrs. and SS energy: -190.800 (S_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: 208
Temperature: 0.900000
Total energy: -1469.202600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.202600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.602600 (E_RNA)
where:
Base-Base interactions energy: -884.524
where: short stacking energy: -349.089
Base-Backbone interact. energy: 0.931
local terms energy: -384.009658
where:
bonds (distance) C4'-P energy: -76.454
bonds (distance) P-C4' energy: -74.506
flat angles C4'-P-C4' energy: -81.902
flat angles P-C4'-P energy: -53.929
tors. eta vs tors. theta energy: -97.219
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1447.948774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.948774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.948774 (E_RNA)
where:
Base-Base interactions energy: -864.064
where: short stacking energy: -336.395
Base-Backbone interact. energy: 0.038
local terms energy: -385.921971
where:
bonds (distance) C4'-P energy: -80.360
bonds (distance) P-C4' energy: -72.405
flat angles C4'-P-C4' energy: -81.696
flat angles P-C4'-P energy: -54.762
tors. eta vs tors. theta energy: -96.699
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1374.697032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.697032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.497032 (E_RNA)
where:
Base-Base interactions energy: -809.647
where: short stacking energy: -322.464
Base-Backbone interact. energy: -1.522
local terms energy: -367.328432
where:
bonds (distance) C4'-P energy: -73.689
bonds (distance) P-C4' energy: -80.530
flat angles C4'-P-C4' energy: -76.983
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -90.962
Dist. restrs. and SS energy: -196.200 (S_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: 208
Temperature: 1.050000
Total energy: -1340.413599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.413599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.613599 (E_RNA)
where:
Base-Base interactions energy: -778.471
where: short stacking energy: -317.687
Base-Backbone interact. energy: -3.799
local terms energy: -340.342699
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -62.131
flat angles C4'-P-C4' energy: -83.349
flat angles P-C4'-P energy: -59.113
tors. eta vs tors. theta energy: -76.834
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1262.004970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.004970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.204970 (E_RNA)
where:
Base-Base interactions energy: -753.116
where: short stacking energy: -294.131
Base-Backbone interact. energy: -1.029
local terms energy: -308.059679
where:
bonds (distance) C4'-P energy: -59.161
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -67.064
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -73.860
Dist. restrs. and SS energy: -199.800 (S_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: 208
Temperature: 1.150000
Total energy: -1243.533919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.533919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.533919 (E_RNA)
where:
Base-Base interactions energy: -713.832
where: short stacking energy: -304.795
Base-Backbone interact. energy: -1.300
local terms energy: -312.401820
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -60.666
flat angles C4'-P-C4' energy: -67.220
flat angles P-C4'-P energy: -42.687
tors. eta vs tors. theta energy: -78.754
Dist. restrs. and SS energy: -216.000 (S_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: -1186.174717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.174717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.974717 (E_RNA)
where:
Base-Base interactions energy: -673.279
where: short stacking energy: -268.917
Base-Backbone interact. energy: 1.514
local terms energy: -327.209702
where:
bonds (distance) C4'-P energy: -56.271
bonds (distance) P-C4' energy: -66.223
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -77.599
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1140.823780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.823780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.223780 (E_RNA)
where:
Base-Base interactions energy: -648.117
where: short stacking energy: -261.387
Base-Backbone interact. energy: 8.167
local terms energy: -290.273918
where:
bonds (distance) C4'-P energy: -51.227
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -72.150
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -57.394
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1110.560588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.560588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.360588 (E_RNA)
where:
Base-Base interactions energy: -640.510
where: short stacking energy: -263.856
Base-Backbone interact. energy: 0.235
local terms energy: -274.085531
where:
bonds (distance) C4'-P energy: -66.812
bonds (distance) P-C4' energy: -64.190
flat angles C4'-P-C4' energy: -53.648
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -51.540
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1065.220187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.220187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.820187 (E_RNA)
where:
Base-Base interactions energy: -601.126
where: short stacking energy: -253.099
Base-Backbone interact. energy: -2.528
local terms energy: -267.165957
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -56.865
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -57.242
Dist. restrs. and SS energy: -194.400 (S_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: 209
Temperature: 0.900000
Total energy: -1461.672497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.672497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.872497 (E_RNA)
where:
Base-Base interactions energy: -878.798
where: short stacking energy: -352.638
Base-Backbone interact. energy: -0.989
local terms energy: -373.085383
where:
bonds (distance) C4'-P energy: -76.160
bonds (distance) P-C4' energy: -65.845
flat angles C4'-P-C4' energy: -73.713
flat angles P-C4'-P energy: -64.212
tors. eta vs tors. theta energy: -93.155
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1433.623316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.623316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.023316 (E_RNA)
where:
Base-Base interactions energy: -881.152
where: short stacking energy: -341.635
Base-Backbone interact. energy: -3.454
local terms energy: -347.417187
where:
bonds (distance) C4'-P energy: -62.268
bonds (distance) P-C4' energy: -66.821
flat angles C4'-P-C4' energy: -72.131
flat angles P-C4'-P energy: -56.908
tors. eta vs tors. theta energy: -89.289
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1395.575171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.575171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.375171 (E_RNA)
where:
Base-Base interactions energy: -807.886
where: short stacking energy: -333.296
Base-Backbone interact. energy: -0.321
local terms energy: -382.168191
where:
bonds (distance) C4'-P energy: -76.167
bonds (distance) P-C4' energy: -76.322
flat angles C4'-P-C4' energy: -79.426
flat angles P-C4'-P energy: -58.242
tors. eta vs tors. theta energy: -92.012
Dist. restrs. and SS energy: -205.200 (S_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: 209
Temperature: 1.050000
Total energy: -1275.193141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.193141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.593141 (E_RNA)
where:
Base-Base interactions energy: -734.953
where: short stacking energy: -291.239
Base-Backbone interact. energy: -0.469
local terms energy: -338.170806
where:
bonds (distance) C4'-P energy: -72.171
bonds (distance) P-C4' energy: -68.763
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -47.983
tors. eta vs tors. theta energy: -69.738
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1300.968700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.968700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.368700 (E_RNA)
where:
Base-Base interactions energy: -753.524
where: short stacking energy: -300.816
Base-Backbone interact. energy: -0.688
local terms energy: -336.156850
where:
bonds (distance) C4'-P energy: -64.346
bonds (distance) P-C4' energy: -56.101
flat angles C4'-P-C4' energy: -77.071
flat angles P-C4'-P energy: -48.307
tors. eta vs tors. theta energy: -90.332
Dist. restrs. and SS energy: -210.600 (S_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: 209
Temperature: 1.150000
Total energy: -1244.494571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.494571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.094571 (E_RNA)
where:
Base-Base interactions energy: -735.718
where: short stacking energy: -294.703
Base-Backbone interact. energy: -0.224
local terms energy: -296.152306
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -66.345
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -77.896
Dist. restrs. and SS energy: -212.400 (S_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: -1162.261531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.261531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.061531 (E_RNA)
where:
Base-Base interactions energy: -659.599
where: short stacking energy: -262.201
Base-Backbone interact. energy: -2.367
local terms energy: -295.095825
where:
bonds (distance) C4'-P energy: -61.615
bonds (distance) P-C4' energy: -61.963
flat angles C4'-P-C4' energy: -63.387
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -66.744
Dist. restrs. and SS energy: -205.200 (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: 209
Temperature: 1.250000
Total energy: -1127.290029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.290029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.290029 (E_RNA)
where:
Base-Base interactions energy: -632.591
where: short stacking energy: -253.888
Base-Backbone interact. energy: -2.848
local terms energy: -293.851081
where:
bonds (distance) C4'-P energy: -61.197
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -51.666
tors. eta vs tors. theta energy: -62.368
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1144.517259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.517259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.517259 (E_RNA)
where:
Base-Base interactions energy: -670.758
where: short stacking energy: -260.820
Base-Backbone interact. energy: -0.537
local terms energy: -266.221814
where:
bonds (distance) C4'-P energy: -54.553
bonds (distance) P-C4' energy: -62.871
flat angles C4'-P-C4' energy: -63.355
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -53.462
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1034.463385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.463385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.463385 (E_RNA)
where:
Base-Base interactions energy: -575.916
where: short stacking energy: -218.005
Base-Backbone interact. energy: -1.634
local terms energy: -258.913481
where:
bonds (distance) C4'-P energy: -59.409
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -39.708
tors. eta vs tors. theta energy: -53.839
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1474.493809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.493809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.693809 (E_RNA)
where:
Base-Base interactions energy: -903.372
where: short stacking energy: -343.685
Base-Backbone interact. energy: -3.110
local terms energy: -368.211842
where:
bonds (distance) C4'-P energy: -70.635
bonds (distance) P-C4' energy: -77.561
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -90.509
Dist. restrs. and SS energy: -199.800 (S_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: 210
Temperature: 0.950000
Total energy: -1469.841191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.841191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.041191 (E_RNA)
where:
Base-Base interactions energy: -892.363
where: short stacking energy: -359.600
Base-Backbone interact. energy: -1.248
local terms energy: -367.430074
where:
bonds (distance) C4'-P energy: -73.750
bonds (distance) P-C4' energy: -76.610
flat angles C4'-P-C4' energy: -75.924
flat angles P-C4'-P energy: -55.204
tors. eta vs tors. theta energy: -85.942
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1419.588083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.588083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.588083 (E_RNA)
where:
Base-Base interactions energy: -846.381
where: short stacking energy: -345.552
Base-Backbone interact. energy: 3.728
local terms energy: -369.934801
where:
bonds (distance) C4'-P energy: -78.197
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -87.078
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -94.758
Dist. restrs. and SS energy: -207.000 (S_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: 210
Temperature: 1.050000
Total energy: -1273.421705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.421705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.421705 (E_RNA)
where:
Base-Base interactions energy: -752.241
where: short stacking energy: -307.606
Base-Backbone interact. energy: 1.932
local terms energy: -325.112149
where:
bonds (distance) C4'-P energy: -58.318
bonds (distance) P-C4' energy: -64.417
flat angles C4'-P-C4' energy: -77.509
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -85.070
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1296.686290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.686290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.886290 (E_RNA)
where:
Base-Base interactions energy: -748.017
where: short stacking energy: -308.084
Base-Backbone interact. energy: -2.606
local terms energy: -328.263390
where:
bonds (distance) C4'-P energy: -65.886
bonds (distance) P-C4' energy: -66.960
flat angles C4'-P-C4' energy: -72.792
flat angles P-C4'-P energy: -38.238
tors. eta vs tors. theta energy: -84.387
Dist. restrs. and SS energy: -217.800 (S_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: 210
Temperature: 1.150000
Total energy: -1230.796985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.796985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.596985 (E_RNA)
where:
Base-Base interactions energy: -698.019
where: short stacking energy: -288.821
Base-Backbone interact. energy: -1.476
local terms energy: -317.101859
where:
bonds (distance) C4'-P energy: -54.550
bonds (distance) P-C4' energy: -73.470
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -74.140
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1156.756382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.756382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.756382 (E_RNA)
where:
Base-Base interactions energy: -665.741
where: short stacking energy: -280.557
Base-Backbone interact. energy: -0.602
local terms energy: -292.412685
where:
bonds (distance) C4'-P energy: -50.527
bonds (distance) P-C4' energy: -65.434
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -48.936
tors. eta vs tors. theta energy: -65.147
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1131.313442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.313442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.913442 (E_RNA)
where:
Base-Base interactions energy: -636.440
where: short stacking energy: -246.762
Base-Backbone interact. energy: 3.216
local terms energy: -303.688605
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -66.722
flat angles C4'-P-C4' energy: -69.328
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -60.333
Dist. restrs. and SS energy: -194.400 (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: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1105.548659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.548659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.348659 (E_RNA)
where:
Base-Base interactions energy: -643.665
where: short stacking energy: -236.849
Base-Backbone interact. energy: -1.647
local terms energy: -255.036586
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -59.533
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -51.562
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1026.570487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.570487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.370487 (E_RNA)
where:
Base-Base interactions energy: -584.774
where: short stacking energy: -245.034
Base-Backbone interact. energy: 4.605
local terms energy: -259.201892
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -48.869
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -36.501
tors. eta vs tors. theta energy: -57.481
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1473.810164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.810164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.010164 (E_RNA)
where:
Base-Base interactions energy: -920.676
where: short stacking energy: -360.636
Base-Backbone interact. energy: -2.625
local terms energy: -350.709452
where:
bonds (distance) C4'-P energy: -74.536
bonds (distance) P-C4' energy: -62.100
flat angles C4'-P-C4' energy: -76.439
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -88.015
Dist. restrs. and SS energy: -199.800 (S_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: 211
Temperature: 0.950000
Total energy: -1454.396852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.396852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.596852 (E_RNA)
where:
Base-Base interactions energy: -877.626
where: short stacking energy: -344.168
Base-Backbone interact. energy: 0.564
local terms energy: -368.534738
where:
bonds (distance) C4'-P energy: -63.817
bonds (distance) P-C4' energy: -79.543
flat angles C4'-P-C4' energy: -78.374
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: -93.592
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1355.736160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.736160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.336160 (E_RNA)
where:
Base-Base interactions energy: -799.922
where: short stacking energy: -319.192
Base-Backbone interact. energy: -2.514
local terms energy: -349.899397
where:
bonds (distance) C4'-P energy: -73.255
bonds (distance) P-C4' energy: -76.261
flat angles C4'-P-C4' energy: -78.736
flat angles P-C4'-P energy: -39.742
tors. eta vs tors. theta energy: -81.906
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1315.774771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.774771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.174771 (E_RNA)
where:
Base-Base interactions energy: -760.112
where: short stacking energy: -314.792
Base-Backbone interact. energy: -1.855
local terms energy: -334.207624
where:
bonds (distance) C4'-P energy: -65.242
bonds (distance) P-C4' energy: -63.742
flat angles C4'-P-C4' energy: -70.388
flat angles P-C4'-P energy: -59.227
tors. eta vs tors. theta energy: -75.608
Dist. restrs. and SS energy: -219.600 (S_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: -1275.876881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.876881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.076881 (E_RNA)
where:
Base-Base interactions energy: -751.955
where: short stacking energy: -303.325
Base-Backbone interact. energy: -0.732
local terms energy: -323.390199
where:
bonds (distance) C4'-P energy: -67.024
bonds (distance) P-C4' energy: -60.947
flat angles C4'-P-C4' energy: -64.552
flat angles P-C4'-P energy: -53.071
tors. eta vs tors. theta energy: -77.795
Dist. restrs. and SS energy: -199.800 (S_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: 211
Temperature: 1.150000
Total energy: -1241.034046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.034046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.834046 (E_RNA)
where:
Base-Base interactions energy: -698.060
where: short stacking energy: -273.528
Base-Backbone interact. energy: 2.120
local terms energy: -330.894678
where:
bonds (distance) C4'-P energy: -71.084
bonds (distance) P-C4' energy: -75.247
flat angles C4'-P-C4' energy: -72.073
flat angles P-C4'-P energy: -47.479
tors. eta vs tors. theta energy: -65.012
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1169.196707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.196707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.196707 (E_RNA)
where:
Base-Base interactions energy: -684.216
where: short stacking energy: -288.935
Base-Backbone interact. energy: -0.834
local terms energy: -286.145904
where:
bonds (distance) C4'-P energy: -60.678
bonds (distance) P-C4' energy: -70.581
flat angles C4'-P-C4' energy: -53.152
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -71.534
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1156.395197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.395197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.595197 (E_RNA)
where:
Base-Base interactions energy: -687.121
where: short stacking energy: -268.629
Base-Backbone interact. energy: 1.286
local terms energy: -270.760026
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -70.144
flat angles C4'-P-C4' energy: -69.350
flat angles P-C4'-P energy: -31.758
tors. eta vs tors. theta energy: -59.154
Dist. restrs. and SS energy: -199.800 (S_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: -1085.224365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.224365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.024365 (E_RNA)
where:
Base-Base interactions energy: -614.290
where: short stacking energy: -244.574
Base-Backbone interact. energy: -1.964
local terms energy: -263.770194
where:
bonds (distance) C4'-P energy: -56.035
bonds (distance) P-C4' energy: -50.749
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -57.114
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1050.632109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.632109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.832109 (E_RNA)
where:
Base-Base interactions energy: -573.549
where: short stacking energy: -232.182
Base-Backbone interact. energy: 0.591
local terms energy: -286.873958
where:
bonds (distance) C4'-P energy: -59.452
bonds (distance) P-C4' energy: -56.994
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -67.965
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1463.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.313425 (E_RNA)
where:
Base-Base interactions energy: -910.787
where: short stacking energy: -335.485
Base-Backbone interact. energy: -3.544
local terms energy: -350.982833
where:
bonds (distance) C4'-P energy: -69.375
bonds (distance) P-C4' energy: -69.655
flat angles C4'-P-C4' energy: -73.995
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -87.727
Dist. restrs. and SS energy: -198.000 (S_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: 212
Temperature: 0.950000
Total energy: -1460.711708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.711708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.511708 (E_RNA)
where:
Base-Base interactions energy: -876.994
where: short stacking energy: -357.553
Base-Backbone interact. energy: -1.829
local terms energy: -376.689073
where:
bonds (distance) C4'-P energy: -73.397
bonds (distance) P-C4' energy: -73.629
flat angles C4'-P-C4' energy: -75.005
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -101.874
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1365.542137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.542137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.742137 (E_RNA)
where:
Base-Base interactions energy: -810.256
where: short stacking energy: -329.952
Base-Backbone interact. energy: -2.427
local terms energy: -344.059565
where:
bonds (distance) C4'-P energy: -66.745
bonds (distance) P-C4' energy: -57.090
flat angles C4'-P-C4' energy: -78.982
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -89.393
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1304.151000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.151000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.351000 (E_RNA)
where:
Base-Base interactions energy: -756.217
where: short stacking energy: -323.603
Base-Backbone interact. energy: -1.576
local terms energy: -328.557950
where:
bonds (distance) C4'-P energy: -84.611
bonds (distance) P-C4' energy: -53.328
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -88.220
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1257.662092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.662092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.462092 (E_RNA)
where:
Base-Base interactions energy: -726.948
where: short stacking energy: -290.559
Base-Backbone interact. energy: -2.224
local terms energy: -314.289407
where:
bonds (distance) C4'-P energy: -68.605
bonds (distance) P-C4' energy: -58.598
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -72.310
Dist. restrs. and SS energy: -214.200 (S_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: -1223.235811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.235811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.835811 (E_RNA)
where:
Base-Base interactions energy: -713.430
where: short stacking energy: -291.557
Base-Backbone interact. energy: 6.867
local terms energy: -322.273325
where:
bonds (distance) C4'-P energy: -69.445
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -75.855
flat angles P-C4'-P energy: -43.138
tors. eta vs tors. theta energy: -62.495
Dist. restrs. and SS energy: -194.400 (S_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: 212
Temperature: 1.200000
Total energy: -1175.099386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.099386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.299386 (E_RNA)
where:
Base-Base interactions energy: -653.007
where: short stacking energy: -287.562
Base-Backbone interact. energy: 3.143
local terms energy: -325.435821
where:
bonds (distance) C4'-P energy: -71.123
bonds (distance) P-C4' energy: -69.002
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -43.184
tors. eta vs tors. theta energy: -66.668
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1111.508391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.508391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.508391 (E_RNA)
where:
Base-Base interactions energy: -605.475
where: short stacking energy: -248.622
Base-Backbone interact. energy: -2.942
local terms energy: -305.091281
where:
bonds (distance) C4'-P energy: -53.162
bonds (distance) P-C4' energy: -62.319
flat angles C4'-P-C4' energy: -77.728
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -66.264
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1082.183814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.183814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.383814 (E_RNA)
where:
Base-Base interactions energy: -600.446
where: short stacking energy: -245.179
Base-Backbone interact. energy: -1.671
local terms energy: -289.266767
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -67.723
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: -57.050
Dist. restrs. and SS energy: -190.800 (S_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: -1064.605376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.005376 (E_RNA)
where:
Base-Base interactions energy: -607.706
where: short stacking energy: -247.464
Base-Backbone interact. energy: -1.882
local terms energy: -262.417185
where:
bonds (distance) C4'-P energy: -49.002
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -61.062
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -60.227
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1487.527669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.527669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.727669 (E_RNA)
where:
Base-Base interactions energy: -928.994
where: short stacking energy: -354.413
Base-Backbone interact. energy: 0.112
local terms energy: -358.845277
where:
bonds (distance) C4'-P energy: -66.686
bonds (distance) P-C4' energy: -62.716
flat angles C4'-P-C4' energy: -82.059
flat angles P-C4'-P energy: -52.584
tors. eta vs tors. theta energy: -94.800
Dist. restrs. and SS energy: -199.800 (S_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: 213
Temperature: 0.950000
Total energy: -1455.704702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.704702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.904702 (E_RNA)
where:
Base-Base interactions energy: -882.836
where: short stacking energy: -344.797
Base-Backbone interact. energy: -2.059
local terms energy: -371.010203
where:
bonds (distance) C4'-P energy: -61.819
bonds (distance) P-C4' energy: -77.668
flat angles C4'-P-C4' energy: -86.686
flat angles P-C4'-P energy: -53.784
tors. eta vs tors. theta energy: -91.052
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1361.261293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.261293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.661293 (E_RNA)
where:
Base-Base interactions energy: -797.784
where: short stacking energy: -316.050
Base-Backbone interact. energy: 2.319
local terms energy: -364.196193
where:
bonds (distance) C4'-P energy: -71.405
bonds (distance) P-C4' energy: -66.674
flat angles C4'-P-C4' energy: -79.865
flat angles P-C4'-P energy: -58.801
tors. eta vs tors. theta energy: -87.451
Dist. restrs. and SS energy: -201.600 (S_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: 213
Temperature: 1.050000
Total energy: -1300.443840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.443840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.843840 (E_RNA)
where:
Base-Base interactions energy: -760.468
where: short stacking energy: -295.076
Base-Backbone interact. energy: -1.609
local terms energy: -318.765976
where:
bonds (distance) C4'-P energy: -71.277
bonds (distance) P-C4' energy: -67.977
flat angles C4'-P-C4' energy: -58.402
flat angles P-C4'-P energy: -50.297
tors. eta vs tors. theta energy: -70.813
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1241.293776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.293776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.493776 (E_RNA)
where:
Base-Base interactions energy: -716.559
where: short stacking energy: -294.637
Base-Backbone interact. energy: -2.878
local terms energy: -322.057165
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -85.678
flat angles P-C4'-P energy: -40.495
tors. eta vs tors. theta energy: -73.074
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1169.281489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.281489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.281489 (E_RNA)
where:
Base-Base interactions energy: -673.956
where: short stacking energy: -262.973
Base-Backbone interact. energy: -1.038
local terms energy: -287.287749
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -71.489
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -60.727
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1207.385581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.385581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.985581 (E_RNA)
where:
Base-Base interactions energy: -703.138
where: short stacking energy: -287.451
Base-Backbone interact. energy: -1.487
local terms energy: -299.360823
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -65.999
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -72.900
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1138.769968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.769968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.969968 (E_RNA)
where:
Base-Base interactions energy: -645.841
where: short stacking energy: -268.266
Base-Backbone interact. energy: 1.633
local terms energy: -294.761504
where:
bonds (distance) C4'-P energy: -69.836
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -64.491
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -59.146
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1100.631618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.631618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.831618 (E_RNA)
where:
Base-Base interactions energy: -608.361
where: short stacking energy: -252.054
Base-Backbone interact. energy: -0.141
local terms energy: -292.329485
where:
bonds (distance) C4'-P energy: -54.839
bonds (distance) P-C4' energy: -63.610
flat angles C4'-P-C4' energy: -71.859
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: -62.117
Dist. restrs. and SS energy: -199.800 (S_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: -1055.470402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.470402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.670402 (E_RNA)
where:
Base-Base interactions energy: -599.228
where: short stacking energy: -233.104
Base-Backbone interact. energy: 0.669
local terms energy: -257.111765
where:
bonds (distance) C4'-P energy: -56.873
bonds (distance) P-C4' energy: -57.091
flat angles C4'-P-C4' energy: -63.187
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -46.099
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1468.416049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.416049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.616049 (E_RNA)
where:
Base-Base interactions energy: -906.039
where: short stacking energy: -336.223
Base-Backbone interact. energy: -1.900
local terms energy: -360.677411
where:
bonds (distance) C4'-P energy: -73.979
bonds (distance) P-C4' energy: -68.019
flat angles C4'-P-C4' energy: -84.052
flat angles P-C4'-P energy: -48.355
tors. eta vs tors. theta energy: -86.272
Dist. restrs. and SS energy: -199.800 (S_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: 214
Temperature: 0.950000
Total energy: -1432.949509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.949509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.749509 (E_RNA)
where:
Base-Base interactions energy: -863.448
where: short stacking energy: -325.693
Base-Backbone interact. energy: -1.260
local terms energy: -363.040990
where:
bonds (distance) C4'-P energy: -71.767
bonds (distance) P-C4' energy: -72.918
flat angles C4'-P-C4' energy: -78.564
flat angles P-C4'-P energy: -50.561
tors. eta vs tors. theta energy: -89.230
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1348.202421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.202421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.002421 (E_RNA)
where:
Base-Base interactions energy: -775.614
where: short stacking energy: -324.417
Base-Backbone interact. energy: -2.280
local terms energy: -365.108090
where:
bonds (distance) C4'-P energy: -76.910
bonds (distance) P-C4' energy: -69.379
flat angles C4'-P-C4' energy: -81.220
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: -83.468
Dist. restrs. and SS energy: -205.200 (S_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: 214
Temperature: 1.050000
Total energy: -1308.827546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.827546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.027546 (E_RNA)
where:
Base-Base interactions energy: -755.462
where: short stacking energy: -294.585
Base-Backbone interact. energy: -1.182
local terms energy: -334.383432
where:
bonds (distance) C4'-P energy: -58.714
bonds (distance) P-C4' energy: -72.456
flat angles C4'-P-C4' energy: -75.906
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -76.534
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1215.512435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.512435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.512435 (E_RNA)
where:
Base-Base interactions energy: -704.699
where: short stacking energy: -308.081
Base-Backbone interact. energy: 4.012
local terms energy: -316.826197
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -66.519
flat angles C4'-P-C4' energy: -68.365
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -81.598
Dist. restrs. and SS energy: -198.000 (S_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: 214
Temperature: 1.150000
Total energy: -1232.775189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.775189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.975189 (E_RNA)
where:
Base-Base interactions energy: -705.996
where: short stacking energy: -286.606
Base-Backbone interact. energy: -1.420
local terms energy: -316.559252
where:
bonds (distance) C4'-P energy: -55.499
bonds (distance) P-C4' energy: -67.419
flat angles C4'-P-C4' energy: -68.973
flat angles P-C4'-P energy: -54.408
tors. eta vs tors. theta energy: -70.260
Dist. restrs. and SS energy: -208.800 (S_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: 214
Temperature: 1.200000
Total energy: -1184.867716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.867716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.267716 (E_RNA)
where:
Base-Base interactions energy: -693.895
where: short stacking energy: -270.900
Base-Backbone interact. energy: -1.445
local terms energy: -287.928364
where:
bonds (distance) C4'-P energy: -71.886
bonds (distance) P-C4' energy: -59.150
flat angles C4'-P-C4' energy: -62.767
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -61.823
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1145.981982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.981982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.581982 (E_RNA)
where:
Base-Base interactions energy: -647.128
where: short stacking energy: -255.032
Base-Backbone interact. energy: 3.773
local terms energy: -308.227187
where:
bonds (distance) C4'-P energy: -67.993
bonds (distance) P-C4' energy: -68.740
flat angles C4'-P-C4' energy: -53.449
flat angles P-C4'-P energy: -51.587
tors. eta vs tors. theta energy: -66.458
Dist. restrs. and SS energy: -194.400 (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: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1084.433277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.433277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.433277 (E_RNA)
where:
Base-Base interactions energy: -614.520
where: short stacking energy: -239.346
Base-Backbone interact. energy: -0.057
local terms energy: -280.856374
where:
bonds (distance) C4'-P energy: -70.265
bonds (distance) P-C4' energy: -71.246
flat angles C4'-P-C4' energy: -56.906
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: -55.290
Dist. restrs. and SS energy: -189.000 (S_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: -1037.509062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.509062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.709062 (E_RNA)
where:
Base-Base interactions energy: -577.601
where: short stacking energy: -234.534
Base-Backbone interact. energy: 1.873
local terms energy: -261.981622
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: -63.081
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1487.287359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.287359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.687359 (E_RNA)
where:
Base-Base interactions energy: -905.037
where: short stacking energy: -356.394
Base-Backbone interact. energy: -0.530
local terms energy: -380.120703
where:
bonds (distance) C4'-P energy: -69.355
bonds (distance) P-C4' energy: -72.896
flat angles C4'-P-C4' energy: -79.810
flat angles P-C4'-P energy: -63.777
tors. eta vs tors. theta energy: -94.283
Dist. restrs. and SS energy: -201.600 (S_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: 215
Temperature: 0.950000
Total energy: -1442.491984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.491984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.091984 (E_RNA)
where:
Base-Base interactions energy: -889.859
where: short stacking energy: -349.453
Base-Backbone interact. energy: 0.136
local terms energy: -349.368779
where:
bonds (distance) C4'-P energy: -65.632
bonds (distance) P-C4' energy: -75.921
flat angles C4'-P-C4' energy: -74.184
flat angles P-C4'-P energy: -46.974
tors. eta vs tors. theta energy: -86.658
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1363.721064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.721064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.721064 (E_RNA)
where:
Base-Base interactions energy: -776.332
where: short stacking energy: -323.579
Base-Backbone interact. energy: -2.730
local terms energy: -377.659504
where:
bonds (distance) C4'-P energy: -76.513
bonds (distance) P-C4' energy: -73.873
flat angles C4'-P-C4' energy: -77.438
flat angles P-C4'-P energy: -56.207
tors. eta vs tors. theta energy: -93.629
Dist. restrs. and SS energy: -207.000 (S_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: 215
Temperature: 1.050000
Total energy: -1312.261073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.261073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.461073 (E_RNA)
where:
Base-Base interactions energy: -771.426
where: short stacking energy: -314.457
Base-Backbone interact. energy: -1.528
local terms energy: -321.506448
where:
bonds (distance) C4'-P energy: -62.908
bonds (distance) P-C4' energy: -67.152
flat angles C4'-P-C4' energy: -69.709
flat angles P-C4'-P energy: -42.774
tors. eta vs tors. theta energy: -78.963
Dist. restrs. and SS energy: -217.800 (S_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: -1210.324290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.324290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.724290 (E_RNA)
where:
Base-Base interactions energy: -681.704
where: short stacking energy: -272.416
Base-Backbone interact. energy: -2.412
local terms energy: -324.608086
where:
bonds (distance) C4'-P energy: -64.845
bonds (distance) P-C4' energy: -74.388
flat angles C4'-P-C4' energy: -77.861
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -71.772
Dist. restrs. and SS energy: -201.600 (S_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: 215
Temperature: 1.150000
Total energy: -1184.402956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.402956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.602956 (E_RNA)
where:
Base-Base interactions energy: -689.502
where: short stacking energy: -286.090
Base-Backbone interact. energy: 0.701
local terms energy: -295.801348
where:
bonds (distance) C4'-P energy: -64.652
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -74.707
Dist. restrs. and SS energy: -199.800 (S_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: 215
Temperature: 1.200000
Total energy: -1214.176791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.176791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.376791 (E_RNA)
where:
Base-Base interactions energy: -698.248
where: short stacking energy: -288.004
Base-Backbone interact. energy: -0.553
local terms energy: -297.575663
where:
bonds (distance) C4'-P energy: -52.433
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -70.299
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -74.711
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1121.902339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.902339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.502339 (E_RNA)
where:
Base-Base interactions energy: -640.064
where: short stacking energy: -260.657
Base-Backbone interact. energy: -0.299
local terms energy: -287.139650
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -54.880
flat angles C4'-P-C4' energy: -63.391
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -60.765
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1134.531800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.531800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.731800 (E_RNA)
where:
Base-Base interactions energy: -651.757
where: short stacking energy: -263.238
Base-Backbone interact. energy: 2.412
local terms energy: -285.386920
where:
bonds (distance) C4'-P energy: -51.519
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -62.380
flat angles P-C4'-P energy: -53.722
tors. eta vs tors. theta energy: -59.709
Dist. restrs. and SS energy: -199.800 (S_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: -1049.136060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.136060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.136060 (E_RNA)
where:
Base-Base interactions energy: -583.253
where: short stacking energy: -238.765
Base-Backbone interact. energy: -0.005
local terms energy: -276.878075
where:
bonds (distance) C4'-P energy: -60.239
bonds (distance) P-C4' energy: -59.225
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -48.957
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1469.098006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.098006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.298006 (E_RNA)
where:
Base-Base interactions energy: -904.057
where: short stacking energy: -356.645
Base-Backbone interact. energy: -0.414
local terms energy: -364.827435
where:
bonds (distance) C4'-P energy: -59.335
bonds (distance) P-C4' energy: -76.985
flat angles C4'-P-C4' energy: -90.107
flat angles P-C4'-P energy: -49.432
tors. eta vs tors. theta energy: -88.969
Dist. restrs. and SS energy: -199.800 (S_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: 216
Temperature: 0.950000
Total energy: -1450.977159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.977159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.177159 (E_RNA)
where:
Base-Base interactions energy: -880.663
where: short stacking energy: -332.240
Base-Backbone interact. energy: -5.159
local terms energy: -356.355045
where:
bonds (distance) C4'-P energy: -68.871
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -73.859
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: -90.194
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1356.761622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.761622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.761622 (E_RNA)
where:
Base-Base interactions energy: -796.257
where: short stacking energy: -335.537
Base-Backbone interact. energy: -0.089
local terms energy: -353.415399
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -72.130
flat angles C4'-P-C4' energy: -79.012
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -91.581
Dist. restrs. and SS energy: -207.000 (S_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: 216
Temperature: 1.050000
Total energy: -1320.174790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.174790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.574790 (E_RNA)
where:
Base-Base interactions energy: -765.028
where: short stacking energy: -310.990
Base-Backbone interact. energy: -2.537
local terms energy: -333.010381
where:
bonds (distance) C4'-P energy: -58.570
bonds (distance) P-C4' energy: -71.277
flat angles C4'-P-C4' energy: -69.432
flat angles P-C4'-P energy: -48.717
tors. eta vs tors. theta energy: -85.014
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1230.107997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.107997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.907997 (E_RNA)
where:
Base-Base interactions energy: -703.770
where: short stacking energy: -305.515
Base-Backbone interact. energy: -0.895
local terms energy: -329.242951
where:
bonds (distance) C4'-P energy: -62.340
bonds (distance) P-C4' energy: -65.799
flat angles C4'-P-C4' energy: -79.106
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -80.219
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. 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: -1203.072397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.072397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.072397 (E_RNA)
where:
Base-Base interactions energy: -686.642
where: short stacking energy: -284.016
Base-Backbone interact. energy: 0.520
local terms energy: -318.950949
where:
bonds (distance) C4'-P energy: -59.930
bonds (distance) P-C4' energy: -54.620
flat angles C4'-P-C4' energy: -78.146
flat angles P-C4'-P energy: -50.192
tors. eta vs tors. theta energy: -76.062
Dist. restrs. and SS energy: -198.000 (S_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: 216
Temperature: 1.200000
Total energy: -1198.992841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.992841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.792841 (E_RNA)
where:
Base-Base interactions energy: -672.563
where: short stacking energy: -260.302
Base-Backbone interact. energy: -1.742
local terms energy: -310.487636
where:
bonds (distance) C4'-P energy: -70.123
bonds (distance) P-C4' energy: -63.406
flat angles C4'-P-C4' energy: -65.140
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -64.769
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1129.654251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.654251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.254251 (E_RNA)
where:
Base-Base interactions energy: -633.957
where: short stacking energy: -244.359
Base-Backbone interact. energy: 3.983
local terms energy: -296.280609
where:
bonds (distance) C4'-P energy: -62.581
bonds (distance) P-C4' energy: -62.550
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -61.642
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1061.771859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.771859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.571859 (E_RNA)
where:
Base-Base interactions energy: -602.761
where: short stacking energy: -239.941
Base-Backbone interact. energy: -2.658
local terms energy: -269.152526
where:
bonds (distance) C4'-P energy: -59.864
bonds (distance) P-C4' energy: -50.557
flat angles C4'-P-C4' energy: -61.046
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -56.763
Dist. restrs. and SS energy: -187.200 (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: 216
Temperature: 1.350000
Total energy: -1063.426199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.426199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.026199 (E_RNA)
where:
Base-Base interactions energy: -611.010
where: short stacking energy: -226.077
Base-Backbone interact. energy: 1.996
local terms energy: -251.012114
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -54.655
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -46.357
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1489.128889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.128889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.128889 (E_RNA)
where:
Base-Base interactions energy: -921.818
where: short stacking energy: -363.259
Base-Backbone interact. energy: -2.358
local terms energy: -366.953221
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -71.047
flat angles C4'-P-C4' energy: -78.707
flat angles P-C4'-P energy: -46.102
tors. eta vs tors. theta energy: -97.762
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1441.238534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.238534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.238534 (E_RNA)
where:
Base-Base interactions energy: -858.204
where: short stacking energy: -346.680
Base-Backbone interact. energy: 2.641
local terms energy: -378.675821
where:
bonds (distance) C4'-P energy: -73.565
bonds (distance) P-C4' energy: -73.435
flat angles C4'-P-C4' energy: -80.749
flat angles P-C4'-P energy: -60.547
tors. eta vs tors. theta energy: -90.380
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1350.853446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.853446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.453446 (E_RNA)
where:
Base-Base interactions energy: -795.873
where: short stacking energy: -339.877
Base-Backbone interact. energy: -1.914
local terms energy: -349.666452
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -75.345
flat angles C4'-P-C4' energy: -76.012
flat angles P-C4'-P energy: -41.648
tors. eta vs tors. theta energy: -91.036
Dist. restrs. and SS energy: -203.400 (S_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: 217
Temperature: 1.050000
Total energy: -1298.012550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.012550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.212550 (E_RNA)
where:
Base-Base interactions energy: -736.673
where: short stacking energy: -303.672
Base-Backbone interact. energy: -2.924
local terms energy: -340.615629
where:
bonds (distance) C4'-P energy: -61.985
bonds (distance) P-C4' energy: -66.380
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -81.482
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1234.067190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.067190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.467190 (E_RNA)
where:
Base-Base interactions energy: -692.410
where: short stacking energy: -285.409
Base-Backbone interact. energy: -2.312
local terms energy: -337.745199
where:
bonds (distance) C4'-P energy: -74.123
bonds (distance) P-C4' energy: -70.933
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -75.418
Dist. restrs. and SS energy: -201.600 (S_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: 217
Temperature: 1.150000
Total energy: -1183.188831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.188831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.188831 (E_RNA)
where:
Base-Base interactions energy: -670.129
where: short stacking energy: -257.811
Base-Backbone interact. energy: -1.525
local terms energy: -304.534745
where:
bonds (distance) C4'-P energy: -66.013
bonds (distance) P-C4' energy: -74.243
flat angles C4'-P-C4' energy: -60.703
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -67.258
Dist. restrs. and SS energy: -207.000 (S_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: -1160.754336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.754336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.754336 (E_RNA)
where:
Base-Base interactions energy: -667.570
where: short stacking energy: -287.589
Base-Backbone interact. energy: -0.667
local terms energy: -294.517217
where:
bonds (distance) C4'-P energy: -47.776
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -76.429
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1133.220002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.220002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.020002 (E_RNA)
where:
Base-Base interactions energy: -650.835
where: short stacking energy: -254.844
Base-Backbone interact. energy: -1.994
local terms energy: -284.191474
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -59.998
flat angles C4'-P-C4' energy: -69.467
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -52.632
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1073.357576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.357576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.757576 (E_RNA)
where:
Base-Base interactions energy: -619.447
where: short stacking energy: -240.809
Base-Backbone interact. energy: 1.623
local terms energy: -271.934112
where:
bonds (distance) C4'-P energy: -57.836
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -30.327
tors. eta vs tors. theta energy: -57.470
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1073.620067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.620067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.220067 (E_RNA)
where:
Base-Base interactions energy: -578.519
where: short stacking energy: -216.836
Base-Backbone interact. energy: -2.279
local terms energy: -298.421820
where:
bonds (distance) C4'-P energy: -64.113
bonds (distance) P-C4' energy: -62.637
flat angles C4'-P-C4' energy: -66.329
flat angles P-C4'-P energy: -49.916
tors. eta vs tors. theta energy: -55.427
Dist. restrs. and SS energy: -194.400 (S_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: 218
Temperature: 0.900000
Total energy: -1478.574804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.574804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.374804 (E_RNA)
where:
Base-Base interactions energy: -897.190
where: short stacking energy: -352.986
Base-Backbone interact. energy: -2.154
local terms energy: -374.030765
where:
bonds (distance) C4'-P energy: -73.930
bonds (distance) P-C4' energy: -66.652
flat angles C4'-P-C4' energy: -81.546
flat angles P-C4'-P energy: -60.516
tors. eta vs tors. theta energy: -91.387
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1491.441862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.441862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.641862 (E_RNA)
where:
Base-Base interactions energy: -902.554
where: short stacking energy: -364.001
Base-Backbone interact. energy: -2.630
local terms energy: -386.457235
where:
bonds (distance) C4'-P energy: -68.378
bonds (distance) P-C4' energy: -77.157
flat angles C4'-P-C4' energy: -82.806
flat angles P-C4'-P energy: -63.505
tors. eta vs tors. theta energy: -94.611
Dist. restrs. and SS energy: -199.800 (S_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: 218
Temperature: 1.000000
Total energy: -1374.884807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.884807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.084807 (E_RNA)
where:
Base-Base interactions energy: -803.747
where: short stacking energy: -325.149
Base-Backbone interact. energy: -1.742
local terms energy: -360.595506
where:
bonds (distance) C4'-P energy: -61.346
bonds (distance) P-C4' energy: -73.838
flat angles C4'-P-C4' energy: -87.815
flat angles P-C4'-P energy: -48.402
tors. eta vs tors. theta energy: -89.194
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1349.799603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.799603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.799603 (E_RNA)
where:
Base-Base interactions energy: -798.553
where: short stacking energy: -305.871
Base-Backbone interact. energy: -1.432
local terms energy: -342.814349
where:
bonds (distance) C4'-P energy: -62.377
bonds (distance) P-C4' energy: -65.201
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -62.223
tors. eta vs tors. theta energy: -82.582
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1250.730432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.730432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.130432 (E_RNA)
where:
Base-Base interactions energy: -716.097
where: short stacking energy: -309.448
Base-Backbone interact. energy: -3.573
local terms energy: -329.459687
where:
bonds (distance) C4'-P energy: -57.848
bonds (distance) P-C4' energy: -65.990
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -50.256
tors. eta vs tors. theta energy: -84.905
Dist. restrs. and SS energy: -201.600 (S_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: 218
Temperature: 1.150000
Total energy: -1190.950869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.950869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.550869 (E_RNA)
where:
Base-Base interactions energy: -672.119
where: short stacking energy: -272.211
Base-Backbone interact. energy: -1.921
local terms energy: -313.510715
where:
bonds (distance) C4'-P energy: -64.774
bonds (distance) P-C4' energy: -72.483
flat angles C4'-P-C4' energy: -66.599
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -68.265
Dist. restrs. and SS energy: -203.400 (S_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: -1193.508157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.508157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.308157 (E_RNA)
where:
Base-Base interactions energy: -687.615
where: short stacking energy: -296.894
Base-Backbone interact. energy: -2.660
local terms energy: -298.033145
where:
bonds (distance) C4'-P energy: -63.174
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -51.313
tors. eta vs tors. theta energy: -74.668
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1116.918726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.918726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.318726 (E_RNA)
where:
Base-Base interactions energy: -609.582
where: short stacking energy: -250.314
Base-Backbone interact. energy: 1.736
local terms energy: -307.472797
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -66.830
flat angles C4'-P-C4' energy: -57.521
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -71.703
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1097.209908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.209908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.609908 (E_RNA)
where:
Base-Base interactions energy: -614.320
where: short stacking energy: -246.314
Base-Backbone interact. energy: -1.495
local terms energy: -288.794678
where:
bonds (distance) C4'-P energy: -55.395
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -66.225
flat angles P-C4'-P energy: -41.232
tors. eta vs tors. theta energy: -64.577
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1032.954737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.954737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.754737 (E_RNA)
where:
Base-Base interactions energy: -595.235
where: short stacking energy: -219.048
Base-Backbone interact. energy: 0.275
local terms energy: -241.794571
where:
bonds (distance) C4'-P energy: -53.413
bonds (distance) P-C4' energy: -43.173
flat angles C4'-P-C4' energy: -54.531
flat angles P-C4'-P energy: -38.607
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: -196.200 (S_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: 219
Temperature: 0.900000
Total energy: -1462.274448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.274448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.474448 (E_RNA)
where:
Base-Base interactions energy: -881.300
where: short stacking energy: -337.990
Base-Backbone interact. energy: 3.326
local terms energy: -375.501275
where:
bonds (distance) C4'-P energy: -68.788
bonds (distance) P-C4' energy: -78.286
flat angles C4'-P-C4' energy: -85.329
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -88.230
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1456.402935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.402935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.602935 (E_RNA)
where:
Base-Base interactions energy: -891.080
where: short stacking energy: -345.661
Base-Backbone interact. energy: 6.814
local terms energy: -372.337436
where:
bonds (distance) C4'-P energy: -66.340
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -84.231
flat angles P-C4'-P energy: -57.015
tors. eta vs tors. theta energy: -94.364
Dist. restrs. and SS energy: -199.800 (S_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: -1335.548427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.548427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.748427 (E_RNA)
where:
Base-Base interactions energy: -758.699
where: short stacking energy: -301.388
Base-Backbone interact. energy: -1.797
local terms energy: -357.251717
where:
bonds (distance) C4'-P energy: -76.795
bonds (distance) P-C4' energy: -64.483
flat angles C4'-P-C4' energy: -76.253
flat angles P-C4'-P energy: -53.069
tors. eta vs tors. theta energy: -86.653
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1363.070786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.070786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.670786 (E_RNA)
where:
Base-Base interactions energy: -821.226
where: short stacking energy: -336.035
Base-Backbone interact. energy: 1.282
local terms energy: -339.727456
where:
bonds (distance) C4'-P energy: -60.332
bonds (distance) P-C4' energy: -62.198
flat angles C4'-P-C4' energy: -74.692
flat angles P-C4'-P energy: -52.061
tors. eta vs tors. theta energy: -90.444
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1243.729815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.729815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.529815 (E_RNA)
where:
Base-Base interactions energy: -706.355
where: short stacking energy: -284.989
Base-Backbone interact. energy: -0.191
local terms energy: -340.984532
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -68.572
flat angles C4'-P-C4' energy: -74.687
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -83.266
Dist. restrs. and SS energy: -196.200 (S_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: -1193.790945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.790945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.390945 (E_RNA)
where:
Base-Base interactions energy: -676.381
where: short stacking energy: -287.515
Base-Backbone interact. energy: -1.343
local terms energy: -312.666849
where:
bonds (distance) C4'-P energy: -66.446
bonds (distance) P-C4' energy: -58.517
flat angles C4'-P-C4' energy: -73.749
flat angles P-C4'-P energy: -49.102
tors. eta vs tors. theta energy: -64.852
Dist. restrs. and SS energy: -203.400 (S_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: 219
Temperature: 1.200000
Total energy: -1212.339395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.339395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.539395 (E_RNA)
where:
Base-Base interactions energy: -697.186
where: short stacking energy: -283.913
Base-Backbone interact. energy: -2.083
local terms energy: -313.270286
where:
bonds (distance) C4'-P energy: -68.198
bonds (distance) P-C4' energy: -59.356
flat angles C4'-P-C4' energy: -70.114
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -74.943
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1161.909769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.909769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.709769 (E_RNA)
where:
Base-Base interactions energy: -649.778
where: short stacking energy: -268.908
Base-Backbone interact. energy: -1.594
local terms energy: -305.337789
where:
bonds (distance) C4'-P energy: -56.962
bonds (distance) P-C4' energy: -69.568
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -43.952
tors. eta vs tors. theta energy: -65.064
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1106.912754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.912754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.712754 (E_RNA)
where:
Base-Base interactions energy: -641.546
where: short stacking energy: -260.518
Base-Backbone interact. energy: -1.486
local terms energy: -258.680721
where:
bonds (distance) C4'-P energy: -36.681
bonds (distance) P-C4' energy: -65.042
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -33.450
tors. eta vs tors. theta energy: -68.031
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1033.588872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.588872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.788872 (E_RNA)
where:
Base-Base interactions energy: -574.223
where: short stacking energy: -233.965
Base-Backbone interact. energy: -2.651
local terms energy: -274.915182
where:
bonds (distance) C4'-P energy: -53.991
bonds (distance) P-C4' energy: -56.418
flat angles C4'-P-C4' energy: -65.020
flat angles P-C4'-P energy: -45.777
tors. eta vs tors. theta energy: -53.710
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. 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: -1471.676393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.676393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.876393 (E_RNA)
where:
Base-Base interactions energy: -890.440
where: short stacking energy: -338.961
Base-Backbone interact. energy: -3.767
local terms energy: -377.669739
where:
bonds (distance) C4'-P energy: -76.257
bonds (distance) P-C4' energy: -70.778
flat angles C4'-P-C4' energy: -86.739
flat angles P-C4'-P energy: -56.471
tors. eta vs tors. theta energy: -87.424
Dist. restrs. and SS energy: -199.800 (S_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: 220
Temperature: 0.950000
Total energy: -1449.756422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.756422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.556422 (E_RNA)
where:
Base-Base interactions energy: -873.938
where: short stacking energy: -344.266
Base-Backbone interact. energy: -0.376
local terms energy: -370.242261
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -73.280
flat angles C4'-P-C4' energy: -89.172
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -91.922
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1353.689458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.689458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.089458 (E_RNA)
where:
Base-Base interactions energy: -797.675
where: short stacking energy: -326.037
Base-Backbone interact. energy: 1.238
local terms energy: -355.652489
where:
bonds (distance) C4'-P energy: -66.785
bonds (distance) P-C4' energy: -67.628
flat angles C4'-P-C4' energy: -85.987
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: -83.910
Dist. restrs. and SS energy: -201.600 (S_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: -1302.426995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.426995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.426995 (E_RNA)
where:
Base-Base interactions energy: -766.047
where: short stacking energy: -314.598
Base-Backbone interact. energy: 1.035
local terms energy: -321.414568
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -69.720
flat angles C4'-P-C4' energy: -66.238
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -81.373
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1264.701702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.701702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.901702 (E_RNA)
where:
Base-Base interactions energy: -729.565
where: short stacking energy: -312.913
Base-Backbone interact. energy: -0.048
local terms energy: -335.288411
where:
bonds (distance) C4'-P energy: -64.519
bonds (distance) P-C4' energy: -62.989
flat angles C4'-P-C4' energy: -76.361
flat angles P-C4'-P energy: -55.930
tors. eta vs tors. theta energy: -75.489
Dist. restrs. and SS energy: -199.800 (S_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: 220
Temperature: 1.150000
Total energy: -1190.163999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.163999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.563999 (E_RNA)
where:
Base-Base interactions energy: -705.590
where: short stacking energy: -289.757
Base-Backbone interact. energy: -2.013
local terms energy: -280.960661
where:
bonds (distance) C4'-P energy: -60.905
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -64.512
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1147.845112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.845112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.045112 (E_RNA)
where:
Base-Base interactions energy: -646.110
where: short stacking energy: -268.074
Base-Backbone interact. energy: 0.196
local terms energy: -311.130953
where:
bonds (distance) C4'-P energy: -55.721
bonds (distance) P-C4' energy: -60.731
flat angles C4'-P-C4' energy: -77.346
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -72.889
Dist. restrs. and SS energy: -190.800 (S_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: 220
Temperature: 1.250000
Total energy: -1152.924442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.924442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.924442 (E_RNA)
where:
Base-Base interactions energy: -659.549
where: short stacking energy: -283.074
Base-Backbone interact. energy: -0.363
local terms energy: -295.012977
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -70.855
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1095.349247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.349247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.749247 (E_RNA)
where:
Base-Base interactions energy: -622.508
where: short stacking energy: -253.096
Base-Backbone interact. energy: -0.963
local terms energy: -270.279023
where:
bonds (distance) C4'-P energy: -63.061
bonds (distance) P-C4' energy: -57.862
flat angles C4'-P-C4' energy: -66.095
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: -201.600 (S_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: 220
Temperature: 1.350000
Total energy: -1025.959692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.959692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.959692 (E_RNA)
where:
Base-Base interactions energy: -571.373
where: short stacking energy: -214.706
Base-Backbone interact. energy: 2.243
local terms energy: -276.829688
where:
bonds (distance) C4'-P energy: -65.602
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -66.948
flat angles P-C4'-P energy: -44.556
tors. eta vs tors. theta energy: -45.274
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. 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: -1460.518707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.518707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.918707 (E_RNA)
where:
Base-Base interactions energy: -900.129
where: short stacking energy: -351.286
Base-Backbone interact. energy: -1.062
local terms energy: -357.728381
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -76.229
flat angles C4'-P-C4' energy: -80.533
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -90.429
Dist. restrs. and SS energy: -201.600 (S_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: 221
Temperature: 0.950000
Total energy: -1438.224286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.224286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.224286 (E_RNA)
where:
Base-Base interactions energy: -861.500
where: short stacking energy: -351.248
Base-Backbone interact. energy: -0.532
local terms energy: -369.191769
where:
bonds (distance) C4'-P energy: -71.297
bonds (distance) P-C4' energy: -64.804
flat angles C4'-P-C4' energy: -85.868
flat angles P-C4'-P energy: -48.661
tors. eta vs tors. theta energy: -98.562
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1368.075430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.075430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.075430 (E_RNA)
where:
Base-Base interactions energy: -816.198
where: short stacking energy: -323.420
Base-Backbone interact. energy: -1.351
local terms energy: -352.525967
where:
bonds (distance) C4'-P energy: -71.165
bonds (distance) P-C4' energy: -71.774
flat angles C4'-P-C4' energy: -68.292
flat angles P-C4'-P energy: -51.309
tors. eta vs tors. theta energy: -89.986
Dist. restrs. and SS energy: -198.000 (S_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: 221
Temperature: 1.050000
Total energy: -1319.663678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.663678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.063678 (E_RNA)
where:
Base-Base interactions energy: -762.732
where: short stacking energy: -308.523
Base-Backbone interact. energy: 1.969
local terms energy: -348.301013
where:
bonds (distance) C4'-P energy: -71.798
bonds (distance) P-C4' energy: -66.591
flat angles C4'-P-C4' energy: -72.270
flat angles P-C4'-P energy: -56.032
tors. eta vs tors. theta energy: -81.610
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1251.539949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.539949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.139949 (E_RNA)
where:
Base-Base interactions energy: -730.896
where: short stacking energy: -297.086
Base-Backbone interact. energy: -1.841
local terms energy: -315.403056
where:
bonds (distance) C4'-P energy: -71.703
bonds (distance) P-C4' energy: -59.109
flat angles C4'-P-C4' energy: -63.747
flat angles P-C4'-P energy: -49.609
tors. eta vs tors. theta energy: -71.235
Dist. restrs. and SS energy: -203.400 (S_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: 221
Temperature: 1.150000
Total energy: -1202.731290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.731290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.531290 (E_RNA)
where:
Base-Base interactions energy: -684.655
where: short stacking energy: -285.247
Base-Backbone interact. energy: 0.314
local terms energy: -322.189941
where:
bonds (distance) C4'-P energy: -65.293
bonds (distance) P-C4' energy: -68.422
flat angles C4'-P-C4' energy: -73.166
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -78.614
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1189.653259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.653259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.853259 (E_RNA)
where:
Base-Base interactions energy: -680.247
where: short stacking energy: -264.873
Base-Backbone interact. energy: -1.810
local terms energy: -307.796996
where:
bonds (distance) C4'-P energy: -61.603
bonds (distance) P-C4' energy: -62.494
flat angles C4'-P-C4' energy: -74.417
flat angles P-C4'-P energy: -38.538
tors. eta vs tors. theta energy: -70.745
Dist. restrs. and SS energy: -199.800 (S_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: 221
Temperature: 1.250000
Total energy: -1152.675021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.675021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.075021 (E_RNA)
where:
Base-Base interactions energy: -681.001
where: short stacking energy: -268.224
Base-Backbone interact. energy: -0.352
local terms energy: -269.721643
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -66.205
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -69.615
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1087.859324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.859324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.259324 (E_RNA)
where:
Base-Base interactions energy: -608.410
where: short stacking energy: -236.146
Base-Backbone interact. energy: -1.640
local terms energy: -285.208761
where:
bonds (distance) C4'-P energy: -51.695
bonds (distance) P-C4' energy: -71.862
flat angles C4'-P-C4' energy: -72.333
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -51.514
Dist. restrs. and SS energy: -192.600 (S_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: 221
Temperature: 1.350000
Total energy: -1015.747903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.747903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.547903 (E_RNA)
where:
Base-Base interactions energy: -566.082
where: short stacking energy: -223.967
Base-Backbone interact. energy: -0.419
local terms energy: -271.047322
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -65.810
flat angles P-C4'-P energy: -44.919
tors. eta vs tors. theta energy: -41.446
Dist. restrs. and SS energy: -178.200 (S_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: 222
Temperature: 0.900000
Total energy: -1462.169244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.169244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.369244 (E_RNA)
where:
Base-Base interactions energy: -859.450
where: short stacking energy: -353.867
Base-Backbone interact. energy: 0.273
local terms energy: -394.192009
where:
bonds (distance) C4'-P energy: -76.620
bonds (distance) P-C4' energy: -74.412
flat angles C4'-P-C4' energy: -84.927
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -100.471
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1423.866058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.866058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.666058 (E_RNA)
where:
Base-Base interactions energy: -864.683
where: short stacking energy: -342.075
Base-Backbone interact. energy: 1.038
local terms energy: -364.020540
where:
bonds (distance) C4'-P energy: -67.352
bonds (distance) P-C4' energy: -76.719
flat angles C4'-P-C4' energy: -75.356
flat angles P-C4'-P energy: -51.595
tors. eta vs tors. theta energy: -92.998
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1371.831760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.831760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.631760 (E_RNA)
where:
Base-Base interactions energy: -813.196
where: short stacking energy: -339.930
Base-Backbone interact. energy: 0.180
local terms energy: -353.615229
where:
bonds (distance) C4'-P energy: -66.458
bonds (distance) P-C4' energy: -73.645
flat angles C4'-P-C4' energy: -72.409
flat angles P-C4'-P energy: -52.638
tors. eta vs tors. theta energy: -88.466
Dist. restrs. and SS energy: -205.200 (S_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: 222
Temperature: 1.050000
Total energy: -1310.351845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.351845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.751845 (E_RNA)
where:
Base-Base interactions energy: -755.356
where: short stacking energy: -323.624
Base-Backbone interact. energy: -2.111
local terms energy: -342.285232
where:
bonds (distance) C4'-P energy: -62.539
bonds (distance) P-C4' energy: -71.987
flat angles C4'-P-C4' energy: -79.682
flat angles P-C4'-P energy: -40.108
tors. eta vs tors. theta energy: -87.970
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1236.368710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.368710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.768710 (E_RNA)
where:
Base-Base interactions energy: -718.465
where: short stacking energy: -304.340
Base-Backbone interact. energy: 1.493
local terms energy: -317.796799
where:
bonds (distance) C4'-P energy: -62.985
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -77.040
flat angles P-C4'-P energy: -44.992
tors. eta vs tors. theta energy: -65.390
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1242.981986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.981986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.781986 (E_RNA)
where:
Base-Base interactions energy: -702.188
where: short stacking energy: -307.683
Base-Backbone interact. energy: 0.608
local terms energy: -336.202185
where:
bonds (distance) C4'-P energy: -67.861
bonds (distance) P-C4' energy: -57.684
flat angles C4'-P-C4' energy: -70.259
flat angles P-C4'-P energy: -57.263
tors. eta vs tors. theta energy: -83.136
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1163.613113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.613113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.813113 (E_RNA)
where:
Base-Base interactions energy: -679.763
where: short stacking energy: -281.154
Base-Backbone interact. energy: 0.760
local terms energy: -284.810611
where:
bonds (distance) C4'-P energy: -52.488
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -69.993
flat angles P-C4'-P energy: -34.792
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: -199.800 (S_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: 222
Temperature: 1.250000
Total energy: -1150.885657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.885657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.885657 (E_RNA)
where:
Base-Base interactions energy: -659.826
where: short stacking energy: -252.661
Base-Backbone interact. energy: -0.130
local terms energy: -292.929651
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -69.909
flat angles C4'-P-C4' energy: -59.519
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -63.376
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1064.550433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.550433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.950433 (E_RNA)
where:
Base-Base interactions energy: -611.104
where: short stacking energy: -231.124
Base-Backbone interact. energy: 3.978
local terms energy: -255.824689
where:
bonds (distance) C4'-P energy: -51.392
bonds (distance) P-C4' energy: -69.073
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: -41.151
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1033.014775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.014775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.614775 (E_RNA)
where:
Base-Base interactions energy: -578.487
where: short stacking energy: -238.285
Base-Backbone interact. energy: -1.758
local terms energy: -267.369915
where:
bonds (distance) C4'-P energy: -59.801
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -59.505
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -54.144
Dist. restrs. and SS energy: -185.400 (S_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: 223
Temperature: 0.900000
Total energy: -1446.680777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.680777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.880777 (E_RNA)
where:
Base-Base interactions energy: -889.600
where: short stacking energy: -355.861
Base-Backbone interact. energy: 1.210
local terms energy: -349.490162
where:
bonds (distance) C4'-P energy: -66.919
bonds (distance) P-C4' energy: -66.675
flat angles C4'-P-C4' energy: -72.269
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -96.050
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1438.334670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.334670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.334670 (E_RNA)
where:
Base-Base interactions energy: -870.277
where: short stacking energy: -336.797
Base-Backbone interact. energy: -0.893
local terms energy: -369.164783
where:
bonds (distance) C4'-P energy: -69.149
bonds (distance) P-C4' energy: -75.983
flat angles C4'-P-C4' energy: -79.485
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -92.870
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1371.719457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.719457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.719457 (E_RNA)
where:
Base-Base interactions energy: -807.511
where: short stacking energy: -345.072
Base-Backbone interact. energy: -0.327
local terms energy: -356.881541
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -72.353
flat angles C4'-P-C4' energy: -80.351
flat angles P-C4'-P energy: -48.410
tors. eta vs tors. theta energy: -96.460
Dist. restrs. and SS energy: -207.000 (S_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: -1296.671405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.671405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.271405 (E_RNA)
where:
Base-Base interactions energy: -742.862
where: short stacking energy: -309.070
Base-Backbone interact. energy: -0.958
local terms energy: -340.451349
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -75.767
flat angles C4'-P-C4' energy: -69.506
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -87.110
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1232.885187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.885187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.285187 (E_RNA)
where:
Base-Base interactions energy: -696.928
where: short stacking energy: -309.797
Base-Backbone interact. energy: 0.165
local terms energy: -343.522166
where:
bonds (distance) C4'-P energy: -61.431
bonds (distance) P-C4' energy: -66.917
flat angles C4'-P-C4' energy: -77.534
flat angles P-C4'-P energy: -54.002
tors. eta vs tors. theta energy: -83.637
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1248.363643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.363643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.363643 (E_RNA)
where:
Base-Base interactions energy: -708.161
where: short stacking energy: -293.374
Base-Backbone interact. energy: 0.330
local terms energy: -333.532662
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -73.803
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -88.793
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1209.956845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.956845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.956845 (E_RNA)
where:
Base-Base interactions energy: -687.743
where: short stacking energy: -281.646
Base-Backbone interact. energy: -0.011
local terms energy: -324.203332
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -76.072
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -73.708
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1096.942877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.942877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.742877 (E_RNA)
where:
Base-Base interactions energy: -602.455
where: short stacking energy: -250.446
Base-Backbone interact. energy: 0.906
local terms energy: -299.194215
where:
bonds (distance) C4'-P energy: -73.519
bonds (distance) P-C4' energy: -61.274
flat angles C4'-P-C4' energy: -64.484
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -60.494
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1092.554015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.554015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.154015 (E_RNA)
where:
Base-Base interactions energy: -625.782
where: short stacking energy: -240.985
Base-Backbone interact. energy: -2.571
local terms energy: -260.800965
where:
bonds (distance) C4'-P energy: -54.995
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -64.050
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -50.632
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1029.973288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.973288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.773288 (E_RNA)
where:
Base-Base interactions energy: -601.671
where: short stacking energy: -243.218
Base-Backbone interact. energy: -0.081
local terms energy: -241.020985
where:
bonds (distance) C4'-P energy: -49.153
bonds (distance) P-C4' energy: -59.605
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -47.762
Dist. restrs. and SS energy: -187.200 (S_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: 224
Temperature: 0.900000
Total energy: -1454.862260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.862260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.862260 (E_RNA)
where:
Base-Base interactions energy: -883.389
where: short stacking energy: -347.042
Base-Backbone interact. energy: 2.959
local terms energy: -367.432012
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -68.997
flat angles C4'-P-C4' energy: -85.601
flat angles P-C4'-P energy: -54.386
tors. eta vs tors. theta energy: -88.973
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1412.608322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.608322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.008322 (E_RNA)
where:
Base-Base interactions energy: -871.779
where: short stacking energy: -322.481
Base-Backbone interact. energy: -1.789
local terms energy: -337.440297
where:
bonds (distance) C4'-P energy: -65.927
bonds (distance) P-C4' energy: -72.014
flat angles C4'-P-C4' energy: -79.061
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: -74.174
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1369.893947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.893947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.893947 (E_RNA)
where:
Base-Base interactions energy: -800.934
where: short stacking energy: -339.149
Base-Backbone interact. energy: -1.590
local terms energy: -360.370006
where:
bonds (distance) C4'-P energy: -74.256
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -78.155
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -95.434
Dist. restrs. and SS energy: -207.000 (S_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: -1321.372958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.372958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.772958 (E_RNA)
where:
Base-Base interactions energy: -771.121
where: short stacking energy: -312.362
Base-Backbone interact. energy: 1.578
local terms energy: -341.230151
where:
bonds (distance) C4'-P energy: -67.656
bonds (distance) P-C4' energy: -71.820
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -49.820
tors. eta vs tors. theta energy: -79.748
Dist. restrs. and SS energy: -210.600 (S_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: 224
Temperature: 1.100000
Total energy: -1250.459092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.459092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.259092 (E_RNA)
where:
Base-Base interactions energy: -718.372
where: short stacking energy: -281.456
Base-Backbone interact. energy: -1.139
local terms energy: -316.748639
where:
bonds (distance) C4'-P energy: -70.210
bonds (distance) P-C4' energy: -57.922
flat angles C4'-P-C4' energy: -68.986
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -65.525
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1211.790631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.790631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.390631 (E_RNA)
where:
Base-Base interactions energy: -706.059
where: short stacking energy: -287.035
Base-Backbone interact. energy: -2.434
local terms energy: -299.897011
where:
bonds (distance) C4'-P energy: -62.583
bonds (distance) P-C4' energy: -65.487
flat angles C4'-P-C4' energy: -64.043
flat angles P-C4'-P energy: -36.610
tors. eta vs tors. theta energy: -71.173
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1221.917005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.917005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.317005 (E_RNA)
where:
Base-Base interactions energy: -722.542
where: short stacking energy: -291.749
Base-Backbone interact. energy: -1.973
local terms energy: -304.802228
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -64.955
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -76.635
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. 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: -1092.668637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.668637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.468637 (E_RNA)
where:
Base-Base interactions energy: -617.794
where: short stacking energy: -244.651
Base-Backbone interact. energy: -1.481
local terms energy: -286.194007
where:
bonds (distance) C4'-P energy: -72.945
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -65.602
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1149.462971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.462971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.462971 (E_RNA)
where:
Base-Base interactions energy: -654.340
where: short stacking energy: -250.215
Base-Backbone interact. energy: -5.305
local terms energy: -291.818659
where:
bonds (distance) C4'-P energy: -60.919
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -61.482
flat angles P-C4'-P energy: -44.669
tors. eta vs tors. theta energy: -65.860
Dist. restrs. and SS energy: -198.000 (S_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: 224
Temperature: 1.350000
Total energy: -1019.977503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.977503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.177503 (E_RNA)
where:
Base-Base interactions energy: -577.043
where: short stacking energy: -221.928
Base-Backbone interact. energy: 4.133
local terms energy: -256.266582
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -46.859
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: -190.800 (S_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: 225
Temperature: 0.900000
Total energy: -1456.697528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.697528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.897528 (E_RNA)
where:
Base-Base interactions energy: -867.364
where: short stacking energy: -340.441
Base-Backbone interact. energy: 4.904
local terms energy: -385.437153
where:
bonds (distance) C4'-P energy: -83.654
bonds (distance) P-C4' energy: -72.881
flat angles C4'-P-C4' energy: -72.719
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -96.916
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1410.017634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.017634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.417634 (E_RNA)
where:
Base-Base interactions energy: -847.198
where: short stacking energy: -329.958
Base-Backbone interact. energy: -0.972
local terms energy: -360.247530
where:
bonds (distance) C4'-P energy: -68.179
bonds (distance) P-C4' energy: -73.594
flat angles C4'-P-C4' energy: -75.363
flat angles P-C4'-P energy: -55.021
tors. eta vs tors. theta energy: -88.091
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1370.409184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.409184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.409184 (E_RNA)
where:
Base-Base interactions energy: -796.994
where: short stacking energy: -328.144
Base-Backbone interact. energy: -0.834
local terms energy: -365.581901
where:
bonds (distance) C4'-P energy: -68.281
bonds (distance) P-C4' energy: -76.009
flat angles C4'-P-C4' energy: -83.765
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -93.734
Dist. restrs. and SS energy: -207.000 (S_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: -1328.506968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.506968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.506968 (E_RNA)
where:
Base-Base interactions energy: -780.028
where: short stacking energy: -318.956
Base-Backbone interact. energy: -0.603
local terms energy: -331.876319
where:
bonds (distance) C4'-P energy: -68.920
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -75.928
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: -74.285
Dist. restrs. and SS energy: -216.000 (S_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: 225
Temperature: 1.100000
Total energy: -1259.060699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.060699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.660699 (E_RNA)
where:
Base-Base interactions energy: -750.634
where: short stacking energy: -296.625
Base-Backbone interact. energy: -4.142
local terms energy: -291.884697
where:
bonds (distance) C4'-P energy: -66.937
bonds (distance) P-C4' energy: -63.879
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -38.709
tors. eta vs tors. theta energy: -68.887
Dist. restrs. and SS energy: -212.400 (S_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: 225
Temperature: 1.150000
Total energy: -1209.721844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.721844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.121844 (E_RNA)
where:
Base-Base interactions energy: -693.786
where: short stacking energy: -284.719
Base-Backbone interact. energy: -0.986
local terms energy: -313.350431
where:
bonds (distance) C4'-P energy: -58.319
bonds (distance) P-C4' energy: -63.658
flat angles C4'-P-C4' energy: -63.753
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -78.994
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1246.227023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.227023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.627023 (E_RNA)
where:
Base-Base interactions energy: -728.226
where: short stacking energy: -284.316
Base-Backbone interact. energy: 2.680
local terms energy: -319.081331
where:
bonds (distance) C4'-P energy: -52.502
bonds (distance) P-C4' energy: -69.494
flat angles C4'-P-C4' energy: -75.146
flat angles P-C4'-P energy: -45.944
tors. eta vs tors. theta energy: -75.996
Dist. restrs. and SS energy: -201.600 (S_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: 225
Temperature: 1.250000
Total energy: -1192.380543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.380543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.580543 (E_RNA)
where:
Base-Base interactions energy: -680.791
where: short stacking energy: -269.743
Base-Backbone interact. energy: -4.546
local terms energy: -298.244066
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -57.731
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -70.043
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1039.087356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.087356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.487356 (E_RNA)
where:
Base-Base interactions energy: -579.473
where: short stacking energy: -227.368
Base-Backbone interact. energy: 1.522
local terms energy: -277.536312
where:
bonds (distance) C4'-P energy: -60.725
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: -55.416
Dist. restrs. and SS energy: -183.600 (S_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: 225
Temperature: 1.350000
Total energy: -1024.802594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.802594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.802594 (E_RNA)
where:
Base-Base interactions energy: -560.537
where: short stacking energy: -217.635
Base-Backbone interact. energy: -3.674
local terms energy: -271.591782
where:
bonds (distance) C4'-P energy: -54.986
bonds (distance) P-C4' energy: -54.752
flat angles C4'-P-C4' energy: -70.196
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -56.703
Dist. restrs. and SS energy: -189.000 (S_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: 226
Temperature: 0.900000
Total energy: -1466.029543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.029543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.229543 (E_RNA)
where:
Base-Base interactions energy: -892.281
where: short stacking energy: -348.820
Base-Backbone interact. energy: -0.855
local terms energy: -364.093375
where:
bonds (distance) C4'-P energy: -61.273
bonds (distance) P-C4' energy: -72.718
flat angles C4'-P-C4' energy: -83.515
flat angles P-C4'-P energy: -56.201
tors. eta vs tors. theta energy: -90.387
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1423.882926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.882926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.282926 (E_RNA)
where:
Base-Base interactions energy: -861.792
where: short stacking energy: -328.102
Base-Backbone interact. energy: 1.135
local terms energy: -361.626049
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -72.119
flat angles C4'-P-C4' energy: -82.608
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -93.006
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1378.203100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.203100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.803100 (E_RNA)
where:
Base-Base interactions energy: -805.742
where: short stacking energy: -311.521
Base-Backbone interact. energy: -2.646
local terms energy: -366.415260
where:
bonds (distance) C4'-P energy: -67.898
bonds (distance) P-C4' energy: -76.165
flat angles C4'-P-C4' energy: -79.657
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -78.769
Dist. restrs. and SS energy: -203.400 (S_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: 226
Temperature: 1.050000
Total energy: -1319.010527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.010527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.210527 (E_RNA)
where:
Base-Base interactions energy: -763.482
where: short stacking energy: -304.734
Base-Backbone interact. energy: 1.896
local terms energy: -339.624286
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -73.795
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -81.489
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1269.471155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.471155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.471155 (E_RNA)
where:
Base-Base interactions energy: -748.635
where: short stacking energy: -299.034
Base-Backbone interact. energy: 3.215
local terms energy: -308.051508
where:
bonds (distance) C4'-P energy: -64.990
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -68.062
Dist. restrs. and SS energy: -216.000 (S_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: 226
Temperature: 1.150000
Total energy: -1228.374870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.374870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.974870 (E_RNA)
where:
Base-Base interactions energy: -699.108
where: short stacking energy: -282.002
Base-Backbone interact. energy: -0.260
local terms energy: -325.606015
where:
bonds (distance) C4'-P energy: -68.312
bonds (distance) P-C4' energy: -65.981
flat angles C4'-P-C4' energy: -73.990
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -72.774
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1218.893025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.893025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.093025 (E_RNA)
where:
Base-Base interactions energy: -701.671
where: short stacking energy: -270.598
Base-Backbone interact. energy: -3.266
local terms energy: -314.156807
where:
bonds (distance) C4'-P energy: -59.048
bonds (distance) P-C4' energy: -69.111
flat angles C4'-P-C4' energy: -66.640
flat angles P-C4'-P energy: -53.698
tors. eta vs tors. theta energy: -65.659
Dist. restrs. and SS energy: -199.800 (S_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: -1165.272159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.272159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.272159 (E_RNA)
where:
Base-Base interactions energy: -668.555
where: short stacking energy: -277.924
Base-Backbone interact. energy: -1.990
local terms energy: -296.726821
where:
bonds (distance) C4'-P energy: -64.043
bonds (distance) P-C4' energy: -56.647
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -64.074
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1018.037024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.037024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.637024 (E_RNA)
where:
Base-Base interactions energy: -584.738
where: short stacking energy: -233.512
Base-Backbone interact. energy: 0.531
local terms energy: -248.429690
where:
bonds (distance) C4'-P energy: -58.212
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -61.759
flat angles P-C4'-P energy: -31.561
tors. eta vs tors. theta energy: -53.887
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1018.136348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.136348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.536348 (E_RNA)
where:
Base-Base interactions energy: -576.620
where: short stacking energy: -241.174
Base-Backbone interact. energy: -2.095
local terms energy: -255.821153
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -66.229
flat angles C4'-P-C4' energy: -64.917
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -45.187
Dist. restrs. and SS energy: -183.600 (S_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: 227
Temperature: 0.900000
Total energy: -1484.943628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.943628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.143628 (E_RNA)
where:
Base-Base interactions energy: -889.459
where: short stacking energy: -345.663
Base-Backbone interact. energy: -2.348
local terms energy: -384.336792
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -78.021
flat angles C4'-P-C4' energy: -86.078
flat angles P-C4'-P energy: -50.957
tors. eta vs tors. theta energy: -99.892
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1401.473697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.473697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.673697 (E_RNA)
where:
Base-Base interactions energy: -829.334
where: short stacking energy: -327.388
Base-Backbone interact. energy: -3.256
local terms energy: -360.083789
where:
bonds (distance) C4'-P energy: -78.912
bonds (distance) P-C4' energy: -74.464
flat angles C4'-P-C4' energy: -68.526
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -92.095
Dist. restrs. and SS energy: -208.800 (S_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: 227
Temperature: 1.000000
Total energy: -1430.775367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.775367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.775367 (E_RNA)
where:
Base-Base interactions energy: -888.202
where: short stacking energy: -360.271
Base-Backbone interact. energy: -2.810
local terms energy: -341.762694
where:
bonds (distance) C4'-P energy: -62.456
bonds (distance) P-C4' energy: -66.229
flat angles C4'-P-C4' energy: -68.504
flat angles P-C4'-P energy: -57.142
tors. eta vs tors. theta energy: -87.432
Dist. restrs. and SS energy: -198.000 (S_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: 227
Temperature: 1.050000
Total energy: -1310.851795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.851795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.051795 (E_RNA)
where:
Base-Base interactions energy: -771.329
where: short stacking energy: -305.552
Base-Backbone interact. energy: -0.867
local terms energy: -320.855437
where:
bonds (distance) C4'-P energy: -60.159
bonds (distance) P-C4' energy: -70.059
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -37.566
tors. eta vs tors. theta energy: -77.758
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1251.246517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.246517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.246517 (E_RNA)
where:
Base-Base interactions energy: -741.238
where: short stacking energy: -281.436
Base-Backbone interact. energy: -0.236
local terms energy: -293.771563
where:
bonds (distance) C4'-P energy: -53.912
bonds (distance) P-C4' energy: -64.504
flat angles C4'-P-C4' energy: -66.536
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -65.140
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1265.992942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.392942 (E_RNA)
where:
Base-Base interactions energy: -760.913
where: short stacking energy: -293.462
Base-Backbone interact. energy: -3.030
local terms energy: -300.449500
where:
bonds (distance) C4'-P energy: -52.329
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -68.569
flat angles P-C4'-P energy: -52.353
tors. eta vs tors. theta energy: -71.384
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1206.243354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.243354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.243354 (E_RNA)
where:
Base-Base interactions energy: -681.030
where: short stacking energy: -283.783
Base-Backbone interact. energy: -2.215
local terms energy: -315.998743
where:
bonds (distance) C4'-P energy: -62.939
bonds (distance) P-C4' energy: -72.146
flat angles C4'-P-C4' energy: -63.715
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -77.805
Dist. restrs. and SS energy: -207.000 (S_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: 227
Temperature: 1.250000
Total energy: -1191.202804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.202804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.802804 (E_RNA)
where:
Base-Base interactions energy: -675.308
where: short stacking energy: -284.725
Base-Backbone interact. energy: 2.596
local terms energy: -315.090775
where:
bonds (distance) C4'-P energy: -62.658
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -70.007
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -74.215
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1044.638591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.638591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.838591 (E_RNA)
where:
Base-Base interactions energy: -587.174
where: short stacking energy: -249.314
Base-Backbone interact. energy: 0.461
local terms energy: -276.125333
where:
bonds (distance) C4'-P energy: -65.119
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -60.303
flat angles P-C4'-P energy: -38.625
tors. eta vs tors. theta energy: -53.258
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1031.953190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.953190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.153190 (E_RNA)
where:
Base-Base interactions energy: -570.957
where: short stacking energy: -225.123
Base-Backbone interact. energy: 3.501
local terms energy: -282.697988
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: -52.635
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1446.199590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.199590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.199590 (E_RNA)
where:
Base-Base interactions energy: -852.587
where: short stacking energy: -352.700
Base-Backbone interact. energy: -3.876
local terms energy: -382.737148
where:
bonds (distance) C4'-P energy: -75.245
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -82.831
flat angles P-C4'-P energy: -54.254
tors. eta vs tors. theta energy: -94.469
Dist. restrs. and SS energy: -207.000 (S_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: 228
Temperature: 0.950000
Total energy: -1434.750028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.750028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.750028 (E_RNA)
where:
Base-Base interactions energy: -861.018
where: short stacking energy: -342.264
Base-Backbone interact. energy: 0.481
local terms energy: -367.212600
where:
bonds (distance) C4'-P energy: -68.886
bonds (distance) P-C4' energy: -70.615
flat angles C4'-P-C4' energy: -81.785
flat angles P-C4'-P energy: -53.182
tors. eta vs tors. theta energy: -92.745
Dist. restrs. and SS energy: -207.000 (S_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: 228
Temperature: 1.000000
Total energy: -1427.261947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.261947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.261947 (E_RNA)
where:
Base-Base interactions energy: -862.297
where: short stacking energy: -338.120
Base-Backbone interact. energy: -2.135
local terms energy: -364.830019
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -69.686
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -56.190
tors. eta vs tors. theta energy: -87.987
Dist. restrs. and SS energy: -198.000 (S_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: 228
Temperature: 1.050000
Total energy: -1331.035722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.035722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.835722 (E_RNA)
where:
Base-Base interactions energy: -768.092
where: short stacking energy: -299.797
Base-Backbone interact. energy: -2.462
local terms energy: -346.282438
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -71.843
flat angles C4'-P-C4' energy: -75.631
flat angles P-C4'-P energy: -55.867
tors. eta vs tors. theta energy: -84.955
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1256.852982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.852982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.452982 (E_RNA)
where:
Base-Base interactions energy: -738.128
where: short stacking energy: -296.123
Base-Backbone interact. energy: -1.696
local terms energy: -304.628438
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -68.458
flat angles C4'-P-C4' energy: -76.464
flat angles P-C4'-P energy: -46.636
tors. eta vs tors. theta energy: -62.771
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1245.019464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.019464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.419464 (E_RNA)
where:
Base-Base interactions energy: -724.432
where: short stacking energy: -294.483
Base-Backbone interact. energy: 0.132
local terms energy: -319.118843
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -53.826
flat angles C4'-P-C4' energy: -78.337
flat angles P-C4'-P energy: -48.650
tors. eta vs tors. theta energy: -73.578
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1215.313643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.313643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.113643 (E_RNA)
where:
Base-Base interactions energy: -704.312
where: short stacking energy: -283.934
Base-Backbone interact. energy: -1.198
local terms energy: -304.603824
where:
bonds (distance) C4'-P energy: -69.957
bonds (distance) P-C4' energy: -65.933
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: -67.205
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1134.508055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.508055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.308055 (E_RNA)
where:
Base-Base interactions energy: -641.681
where: short stacking energy: -241.848
Base-Backbone interact. energy: -1.455
local terms energy: -295.171776
where:
bonds (distance) C4'-P energy: -71.484
bonds (distance) P-C4' energy: -65.762
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -54.303
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1081.746572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.746572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.946572 (E_RNA)
where:
Base-Base interactions energy: -616.680
where: short stacking energy: -243.114
Base-Backbone interact. energy: -2.585
local terms energy: -271.681420
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -68.890
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -56.931
Dist. restrs. and SS energy: -190.800 (S_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: -979.104878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.104878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.504878 (E_RNA)
where:
Base-Base interactions energy: -547.739
where: short stacking energy: -225.575
Base-Backbone interact. energy: 3.318
local terms energy: -251.084052
where:
bonds (distance) C4'-P energy: -56.197
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -58.402
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -50.236
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1453.892384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.892384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.892384 (E_RNA)
where:
Base-Base interactions energy: -878.591
where: short stacking energy: -342.188
Base-Backbone interact. energy: -1.246
local terms energy: -367.055849
where:
bonds (distance) C4'-P energy: -71.855
bonds (distance) P-C4' energy: -66.916
flat angles C4'-P-C4' energy: -79.908
flat angles P-C4'-P energy: -55.411
tors. eta vs tors. theta energy: -92.967
Dist. restrs. and SS energy: -207.000 (S_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: 229
Temperature: 0.950000
Total energy: -1423.553629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.553629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.353629 (E_RNA)
where:
Base-Base interactions energy: -857.069
where: short stacking energy: -336.261
Base-Backbone interact. energy: 1.187
local terms energy: -362.470727
where:
bonds (distance) C4'-P energy: -69.699
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -80.718
flat angles P-C4'-P energy: -52.504
tors. eta vs tors. theta energy: -81.606
Dist. restrs. and SS energy: -205.200 (S_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: 229
Temperature: 1.000000
Total energy: -1380.706200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.706200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.906200 (E_RNA)
where:
Base-Base interactions energy: -820.251
where: short stacking energy: -328.537
Base-Backbone interact. energy: 1.757
local terms energy: -362.411855
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -79.607
flat angles C4'-P-C4' energy: -74.921
flat angles P-C4'-P energy: -56.785
tors. eta vs tors. theta energy: -88.057
Dist. restrs. and SS energy: -199.800 (S_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: 229
Temperature: 1.050000
Total energy: -1296.942616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.942616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.142616 (E_RNA)
where:
Base-Base interactions energy: -747.588
where: short stacking energy: -291.745
Base-Backbone interact. energy: -2.057
local terms energy: -329.497033
where:
bonds (distance) C4'-P energy: -62.361
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -74.292
flat angles P-C4'-P energy: -45.003
tors. eta vs tors. theta energy: -79.576
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1281.597017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.597017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.397017 (E_RNA)
where:
Base-Base interactions energy: -745.389
where: short stacking energy: -286.564
Base-Backbone interact. energy: 1.617
local terms energy: -323.625336
where:
bonds (distance) C4'-P energy: -52.553
bonds (distance) P-C4' energy: -65.735
flat angles C4'-P-C4' energy: -74.407
flat angles P-C4'-P energy: -56.163
tors. eta vs tors. theta energy: -74.768
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1257.496195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.496195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.696195 (E_RNA)
where:
Base-Base interactions energy: -734.205
where: short stacking energy: -277.725
Base-Backbone interact. energy: -1.460
local terms energy: -322.031280
where:
bonds (distance) C4'-P energy: -58.747
bonds (distance) P-C4' energy: -68.339
flat angles C4'-P-C4' energy: -68.598
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -87.047
Dist. restrs. and SS energy: -199.800 (S_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: 229
Temperature: 1.200000
Total energy: -1214.593628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.593628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.993628 (E_RNA)
where:
Base-Base interactions energy: -694.908
where: short stacking energy: -304.111
Base-Backbone interact. energy: -0.962
local terms energy: -317.122930
where:
bonds (distance) C4'-P energy: -66.338
bonds (distance) P-C4' energy: -64.118
flat angles C4'-P-C4' energy: -68.499
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -79.162
Dist. restrs. and SS energy: -201.600 (S_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: 229
Temperature: 1.250000
Total energy: -1113.925753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.925753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.525753 (E_RNA)
where:
Base-Base interactions energy: -647.102
where: short stacking energy: -264.329
Base-Backbone interact. energy: 1.447
local terms energy: -282.870520
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -64.636
flat angles C4'-P-C4' energy: -64.289
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -61.525
Dist. restrs. and SS energy: -185.400 (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: 229
Temperature: 1.300000
Total energy: -1112.350810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.350810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.750810 (E_RNA)
where:
Base-Base interactions energy: -630.598
where: short stacking energy: -237.735
Base-Backbone interact. energy: 1.058
local terms energy: -281.210329
where:
bonds (distance) C4'-P energy: -65.907
bonds (distance) P-C4' energy: -66.612
flat angles C4'-P-C4' energy: -50.310
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: -58.222
Dist. restrs. and SS energy: -201.600 (S_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: -981.439931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.439931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.839931 (E_RNA)
where:
Base-Base interactions energy: -549.693
where: short stacking energy: -203.261
Base-Backbone interact. energy: -1.272
local terms energy: -246.874779
where:
bonds (distance) C4'-P energy: -63.205
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -63.208
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -28.045
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1465.590118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.590118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.590118 (E_RNA)
where:
Base-Base interactions energy: -878.948
where: short stacking energy: -355.493
Base-Backbone interact. energy: -1.674
local terms energy: -377.967452
where:
bonds (distance) C4'-P energy: -68.897
bonds (distance) P-C4' energy: -70.150
flat angles C4'-P-C4' energy: -86.752
flat angles P-C4'-P energy: -51.625
tors. eta vs tors. theta energy: -100.544
Dist. restrs. and SS energy: -207.000 (S_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: 230
Temperature: 0.950000
Total energy: -1456.158126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.158126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.358126 (E_RNA)
where:
Base-Base interactions energy: -867.254
where: short stacking energy: -347.705
Base-Backbone interact. energy: -0.082
local terms energy: -380.022683
where:
bonds (distance) C4'-P energy: -73.371
bonds (distance) P-C4' energy: -85.590
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -94.378
Dist. restrs. and SS energy: -208.800 (S_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: 230
Temperature: 1.000000
Total energy: -1376.435716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.435716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.635716 (E_RNA)
where:
Base-Base interactions energy: -840.723
where: short stacking energy: -329.999
Base-Backbone interact. energy: -2.299
local terms energy: -333.614030
where:
bonds (distance) C4'-P energy: -67.547
bonds (distance) P-C4' energy: -60.845
flat angles C4'-P-C4' energy: -71.439
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: -83.086
Dist. restrs. and SS energy: -199.800 (S_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: 230
Temperature: 1.050000
Total energy: -1285.276632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.276632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.276632 (E_RNA)
where:
Base-Base interactions energy: -769.260
where: short stacking energy: -308.449
Base-Backbone interact. energy: -1.837
local terms energy: -307.179738
where:
bonds (distance) C4'-P energy: -69.990
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -68.281
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -79.299
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1264.899803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.899803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.099803 (E_RNA)
where:
Base-Base interactions energy: -738.997
where: short stacking energy: -287.964
Base-Backbone interact. energy: -2.142
local terms energy: -314.960787
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -66.063
flat angles C4'-P-C4' energy: -73.988
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -74.673
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1265.371101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.371101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.771101 (E_RNA)
where:
Base-Base interactions energy: -754.098
where: short stacking energy: -297.047
Base-Backbone interact. energy: -1.814
local terms energy: -307.859161
where:
bonds (distance) C4'-P energy: -61.213
bonds (distance) P-C4' energy: -51.936
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -72.212
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1116.299674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.299674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.499674 (E_RNA)
where:
Base-Base interactions energy: -623.892
where: short stacking energy: -266.666
Base-Backbone interact. energy: -0.818
local terms energy: -291.789649
where:
bonds (distance) C4'-P energy: -60.017
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -58.973
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -63.216
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1176.710096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.710096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.710096 (E_RNA)
where:
Base-Base interactions energy: -697.006
where: short stacking energy: -272.819
Base-Backbone interact. energy: -1.440
local terms energy: -271.264104
where:
bonds (distance) C4'-P energy: -50.125
bonds (distance) P-C4' energy: -46.498
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: -59.865
Dist. restrs. and SS energy: -207.000 (S_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: 230
Temperature: 1.300000
Total energy: -1104.857705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.857705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.857705 (E_RNA)
where:
Base-Base interactions energy: -623.137
where: short stacking energy: -240.886
Base-Backbone interact. energy: -2.557
local terms energy: -281.163725
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -61.707
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -47.385
tors. eta vs tors. theta energy: -57.982
Dist. restrs. and SS energy: -198.000 (S_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: 230
Temperature: 1.350000
Total energy: -964.457173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.457173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.257173 (E_RNA)
where:
Base-Base interactions energy: -518.470
where: short stacking energy: -201.296
Base-Backbone interact. energy: -0.666
local terms energy: -267.121260
where:
bonds (distance) C4'-P energy: -59.510
bonds (distance) P-C4' energy: -62.692
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -43.563
tors. eta vs tors. theta energy: -39.812
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1442.549691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.549691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.549691 (E_RNA)
where:
Base-Base interactions energy: -859.380
where: short stacking energy: -350.850
Base-Backbone interact. energy: -2.221
local terms energy: -373.948815
where:
bonds (distance) C4'-P energy: -74.885
bonds (distance) P-C4' energy: -73.014
flat angles C4'-P-C4' energy: -83.564
flat angles P-C4'-P energy: -56.024
tors. eta vs tors. theta energy: -86.463
Dist. restrs. and SS energy: -207.000 (S_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: 231
Temperature: 0.950000
Total energy: -1444.647894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.647894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.447894 (E_RNA)
where:
Base-Base interactions energy: -865.093
where: short stacking energy: -360.500
Base-Backbone interact. energy: -1.834
local terms energy: -372.520639
where:
bonds (distance) C4'-P energy: -71.031
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -83.785
flat angles P-C4'-P energy: -58.505
tors. eta vs tors. theta energy: -100.854
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1410.168470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.168470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.568470 (E_RNA)
where:
Base-Base interactions energy: -860.058
where: short stacking energy: -325.893
Base-Backbone interact. energy: 1.344
local terms energy: -349.854671
where:
bonds (distance) C4'-P energy: -60.881
bonds (distance) P-C4' energy: -72.487
flat angles C4'-P-C4' energy: -75.081
flat angles P-C4'-P energy: -52.454
tors. eta vs tors. theta energy: -88.951
Dist. restrs. and SS energy: -201.600 (S_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: 231
Temperature: 1.050000
Total energy: -1319.713973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.713973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.313973 (E_RNA)
where:
Base-Base interactions energy: -746.287
where: short stacking energy: -307.990
Base-Backbone interact. energy: -2.249
local terms energy: -367.777547
where:
bonds (distance) C4'-P energy: -65.588
bonds (distance) P-C4' energy: -78.587
flat angles C4'-P-C4' energy: -74.141
flat angles P-C4'-P energy: -58.347
tors. eta vs tors. theta energy: -91.114
Dist. restrs. and SS energy: -203.400 (S_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: 231
Temperature: 1.100000
Total energy: -1232.121472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.121472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.921472 (E_RNA)
where:
Base-Base interactions energy: -701.427
where: short stacking energy: -269.726
Base-Backbone interact. energy: -3.272
local terms energy: -313.222570
where:
bonds (distance) C4'-P energy: -67.770
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -74.317
flat angles P-C4'-P energy: -34.050
tors. eta vs tors. theta energy: -67.223
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1269.108155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.108155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.908155 (E_RNA)
where:
Base-Base interactions energy: -747.722
where: short stacking energy: -297.493
Base-Backbone interact. energy: 0.009
local terms energy: -325.195613
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -70.841
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -70.604
Dist. restrs. and SS energy: -196.200 (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: 231
Temperature: 1.200000
Total energy: -1112.406140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.406140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.206140 (E_RNA)
where:
Base-Base interactions energy: -636.019
where: short stacking energy: -241.147
Base-Backbone interact. energy: -0.297
local terms energy: -288.890666
where:
bonds (distance) C4'-P energy: -56.686
bonds (distance) P-C4' energy: -62.422
flat angles C4'-P-C4' energy: -75.369
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -56.601
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1151.622143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.622143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.222143 (E_RNA)
where:
Base-Base interactions energy: -645.785
where: short stacking energy: -260.097
Base-Backbone interact. energy: 2.813
local terms energy: -305.250080
where:
bonds (distance) C4'-P energy: -70.425
bonds (distance) P-C4' energy: -61.265
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -34.404
tors. eta vs tors. theta energy: -70.813
Dist. restrs. and SS energy: -203.400 (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: 231
Temperature: 1.300000
Total energy: -1123.812819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.812819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.612819 (E_RNA)
where:
Base-Base interactions energy: -642.143
where: short stacking energy: -248.409
Base-Backbone interact. energy: 1.078
local terms energy: -286.548284
where:
bonds (distance) C4'-P energy: -52.321
bonds (distance) P-C4' energy: -67.659
flat angles C4'-P-C4' energy: -68.223
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -55.294
Dist. restrs. and SS energy: -196.200 (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: 231
Temperature: 1.350000
Total energy: -957.398499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.398499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.798499 (E_RNA)
where:
Base-Base interactions energy: -497.801
where: short stacking energy: -194.305
Base-Backbone interact. energy: 2.332
local terms energy: -278.330049
where:
bonds (distance) C4'-P energy: -65.745
bonds (distance) P-C4' energy: -74.111
flat angles C4'-P-C4' energy: -60.652
flat angles P-C4'-P energy: -32.261
tors. eta vs tors. theta energy: -45.561
Dist. restrs. and SS energy: -183.600 (S_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: 232
Temperature: 0.900000
Total energy: -1465.442842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.442842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.642842 (E_RNA)
where:
Base-Base interactions energy: -869.241
where: short stacking energy: -353.499
Base-Backbone interact. energy: -1.318
local terms energy: -386.084128
where:
bonds (distance) C4'-P energy: -77.037
bonds (distance) P-C4' energy: -70.322
flat angles C4'-P-C4' energy: -86.775
flat angles P-C4'-P energy: -52.928
tors. eta vs tors. theta energy: -99.022
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1421.893096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.893096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.893096 (E_RNA)
where:
Base-Base interactions energy: -859.160
where: short stacking energy: -345.293
Base-Backbone interact. energy: -2.619
local terms energy: -353.113800
where:
bonds (distance) C4'-P energy: -69.225
bonds (distance) P-C4' energy: -71.327
flat angles C4'-P-C4' energy: -80.037
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -92.786
Dist. restrs. and SS energy: -207.000 (S_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: -1391.952107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.952107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.152107 (E_RNA)
where:
Base-Base interactions energy: -839.976
where: short stacking energy: -325.961
Base-Backbone interact. energy: 0.058
local terms energy: -352.234123
where:
bonds (distance) C4'-P energy: -63.169
bonds (distance) P-C4' energy: -74.320
flat angles C4'-P-C4' energy: -79.309
flat angles P-C4'-P energy: -55.325
tors. eta vs tors. theta energy: -80.111
Dist. restrs. and SS energy: -199.800 (S_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: -1314.310166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.310166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.710166 (E_RNA)
where:
Base-Base interactions energy: -751.621
where: short stacking energy: -308.380
Base-Backbone interact. energy: -2.058
local terms energy: -350.030721
where:
bonds (distance) C4'-P energy: -67.442
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -74.996
flat angles P-C4'-P energy: -48.992
tors. eta vs tors. theta energy: -90.379
Dist. restrs. and SS energy: -210.600 (S_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: 232
Temperature: 1.100000
Total energy: -1279.938867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.938867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.538867 (E_RNA)
where:
Base-Base interactions energy: -740.673
where: short stacking energy: -289.117
Base-Backbone interact. energy: -1.413
local terms energy: -334.452939
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -62.700
flat angles C4'-P-C4' energy: -80.200
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -80.710
Dist. restrs. and SS energy: -203.400 (S_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: 232
Temperature: 1.150000
Total energy: -1225.608496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.608496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.808496 (E_RNA)
where:
Base-Base interactions energy: -696.267
where: short stacking energy: -262.228
Base-Backbone interact. energy: -1.508
local terms energy: -328.032790
where:
bonds (distance) C4'-P energy: -71.531
bonds (distance) P-C4' energy: -65.155
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -53.881
tors. eta vs tors. theta energy: -64.786
Dist. restrs. and SS energy: -199.800 (S_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: 232
Temperature: 1.200000
Total energy: -1212.067414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.067414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.667414 (E_RNA)
where:
Base-Base interactions energy: -713.552
where: short stacking energy: -297.693
Base-Backbone interact. energy: 1.928
local terms energy: -297.043329
where:
bonds (distance) C4'-P energy: -57.406
bonds (distance) P-C4' energy: -63.063
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -37.671
tors. eta vs tors. theta energy: -71.542
Dist. restrs. and SS energy: -203.400 (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: 232
Temperature: 1.250000
Total energy: -1091.754192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.754192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.354192 (E_RNA)
where:
Base-Base interactions energy: -627.866
where: short stacking energy: -249.387
Base-Backbone interact. energy: -1.467
local terms energy: -277.021134
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -58.569
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -54.030
Dist. restrs. and SS energy: -185.400 (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: 232
Temperature: 1.300000
Total energy: -1100.554085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.554085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.554085 (E_RNA)
where:
Base-Base interactions energy: -633.618
where: short stacking energy: -260.924
Base-Backbone interact. energy: 3.942
local terms energy: -272.877906
where:
bonds (distance) C4'-P energy: -52.985
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -70.552
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -61.722
Dist. restrs. and SS energy: -198.000 (S_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: 232
Temperature: 1.350000
Total energy: -1000.728819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.728819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.728819 (E_RNA)
where:
Base-Base interactions energy: -572.325
where: short stacking energy: -231.474
Base-Backbone interact. energy: -0.936
local terms energy: -247.468236
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -42.706
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: -180.000 (S_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: 233
Temperature: 0.900000
Total energy: -1430.547865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.547865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.747865 (E_RNA)
where:
Base-Base interactions energy: -848.314
where: short stacking energy: -331.148
Base-Backbone interact. energy: 0.122
local terms energy: -373.556016
where:
bonds (distance) C4'-P energy: -74.494
bonds (distance) P-C4' energy: -75.800
flat angles C4'-P-C4' energy: -78.454
flat angles P-C4'-P energy: -52.701
tors. eta vs tors. theta energy: -92.107
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1420.322890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.322890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.522890 (E_RNA)
where:
Base-Base interactions energy: -871.625
where: short stacking energy: -328.230
Base-Backbone interact. energy: 0.437
local terms energy: -349.334863
where:
bonds (distance) C4'-P energy: -71.022
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -79.633
flat angles P-C4'-P energy: -49.841
tors. eta vs tors. theta energy: -91.980
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1389.512253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.512253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.712253 (E_RNA)
where:
Base-Base interactions energy: -837.613
where: short stacking energy: -340.507
Base-Backbone interact. energy: -1.697
local terms energy: -341.401504
where:
bonds (distance) C4'-P energy: -66.805
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -48.736
tors. eta vs tors. theta energy: -85.490
Dist. restrs. and SS energy: -208.800 (S_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: 233
Temperature: 1.050000
Total energy: -1323.399480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.399480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.599480 (E_RNA)
where:
Base-Base interactions energy: -766.024
where: short stacking energy: -319.101
Base-Backbone interact. energy: -1.076
local terms energy: -356.499556
where:
bonds (distance) C4'-P energy: -59.179
bonds (distance) P-C4' energy: -70.336
flat angles C4'-P-C4' energy: -87.769
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -86.156
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1293.653467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.653467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.453467 (E_RNA)
where:
Base-Base interactions energy: -746.095
where: short stacking energy: -310.847
Base-Backbone interact. energy: -0.703
local terms energy: -332.655460
where:
bonds (distance) C4'-P energy: -64.261
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -72.592
flat angles P-C4'-P energy: -50.931
tors. eta vs tors. theta energy: -79.281
Dist. restrs. and SS energy: -214.200 (S_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: 233
Temperature: 1.150000
Total energy: -1231.360954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.360954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.960954 (E_RNA)
where:
Base-Base interactions energy: -703.016
where: short stacking energy: -289.912
Base-Backbone interact. energy: -2.891
local terms energy: -322.053442
where:
bonds (distance) C4'-P energy: -72.515
bonds (distance) P-C4' energy: -64.751
flat angles C4'-P-C4' energy: -69.860
flat angles P-C4'-P energy: -45.846
tors. eta vs tors. theta energy: -69.082
Dist. restrs. and SS energy: -203.400 (S_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: 233
Temperature: 1.200000
Total energy: -1180.098016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.098016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.698016 (E_RNA)
where:
Base-Base interactions energy: -664.442
where: short stacking energy: -262.076
Base-Backbone interact. energy: -3.426
local terms energy: -308.830128
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -78.188
flat angles C4'-P-C4' energy: -69.032
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -60.115
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1123.610706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.610706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.210706 (E_RNA)
where:
Base-Base interactions energy: -641.113
where: short stacking energy: -232.263
Base-Backbone interact. energy: -0.717
local terms energy: -278.380579
where:
bonds (distance) C4'-P energy: -52.752
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -66.256
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: -54.331
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1062.858691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.858691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.458691 (E_RNA)
where:
Base-Base interactions energy: -585.017
where: short stacking energy: -248.958
Base-Backbone interact. energy: -2.437
local terms energy: -281.004594
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -70.587
flat angles C4'-P-C4' energy: -64.657
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -63.482
Dist. restrs. and SS energy: -194.400 (S_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: 233
Temperature: 1.350000
Total energy: -1012.767347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.767347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.767347 (E_RNA)
where:
Base-Base interactions energy: -547.333
where: short stacking energy: -224.367
Base-Backbone interact. energy: -0.489
local terms energy: -275.945362
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -65.074
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -52.478
Dist. restrs. and SS energy: -189.000 (S_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: 234
Temperature: 0.900000
Total energy: -1460.632041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.632041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.832041 (E_RNA)
where:
Base-Base interactions energy: -865.246
where: short stacking energy: -359.785
Base-Backbone interact. energy: -2.324
local terms energy: -384.262579
where:
bonds (distance) C4'-P energy: -68.391
bonds (distance) P-C4' energy: -76.400
flat angles C4'-P-C4' energy: -85.965
flat angles P-C4'-P energy: -52.311
tors. eta vs tors. theta energy: -101.195
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1412.685309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.685309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.885309 (E_RNA)
where:
Base-Base interactions energy: -858.262
where: short stacking energy: -328.382
Base-Backbone interact. energy: 0.528
local terms energy: -355.151290
where:
bonds (distance) C4'-P energy: -75.805
bonds (distance) P-C4' energy: -66.564
flat angles C4'-P-C4' energy: -80.623
flat angles P-C4'-P energy: -49.170
tors. eta vs tors. theta energy: -82.988
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1392.945714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.945714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.145714 (E_RNA)
where:
Base-Base interactions energy: -834.857
where: short stacking energy: -330.107
Base-Backbone interact. energy: -1.816
local terms energy: -347.472660
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -74.114
flat angles C4'-P-C4' energy: -70.135
flat angles P-C4'-P energy: -55.488
tors. eta vs tors. theta energy: -90.568
Dist. restrs. and SS energy: -208.800 (S_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: 234
Temperature: 1.050000
Total energy: -1342.941429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.941429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.341429 (E_RNA)
where:
Base-Base interactions energy: -785.331
where: short stacking energy: -328.433
Base-Backbone interact. energy: -3.051
local terms energy: -352.959621
where:
bonds (distance) C4'-P energy: -70.822
bonds (distance) P-C4' energy: -71.850
flat angles C4'-P-C4' energy: -79.252
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -90.796
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1303.818849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.818849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.218849 (E_RNA)
where:
Base-Base interactions energy: -734.454
where: short stacking energy: -303.736
Base-Backbone interact. energy: -3.840
local terms energy: -354.924986
where:
bonds (distance) C4'-P energy: -71.364
bonds (distance) P-C4' energy: -75.256
flat angles C4'-P-C4' energy: -77.373
flat angles P-C4'-P energy: -44.742
tors. eta vs tors. theta energy: -86.190
Dist. restrs. and SS energy: -210.600 (S_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: 234
Temperature: 1.150000
Total energy: -1224.358636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.358636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.758636 (E_RNA)
where:
Base-Base interactions energy: -703.192
where: short stacking energy: -278.402
Base-Backbone interact. energy: -6.568
local terms energy: -303.998710
where:
bonds (distance) C4'-P energy: -59.860
bonds (distance) P-C4' energy: -72.630
flat angles C4'-P-C4' energy: -66.416
flat angles P-C4'-P energy: -34.973
tors. eta vs tors. theta energy: -70.120
Dist. restrs. and SS energy: -210.600 (S_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: 234
Temperature: 1.200000
Total energy: -1158.652570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.652570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.452570 (E_RNA)
where:
Base-Base interactions energy: -668.583
where: short stacking energy: -254.352
Base-Backbone interact. energy: -1.002
local terms energy: -283.867628
where:
bonds (distance) C4'-P energy: -62.276
bonds (distance) P-C4' energy: -66.765
flat angles C4'-P-C4' energy: -57.630
flat angles P-C4'-P energy: -35.317
tors. eta vs tors. theta energy: -61.880
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1118.178535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.178535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.378535 (E_RNA)
where:
Base-Base interactions energy: -625.992
where: short stacking energy: -249.332
Base-Backbone interact. energy: -0.915
local terms energy: -291.471183
where:
bonds (distance) C4'-P energy: -59.352
bonds (distance) P-C4' energy: -64.424
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -71.295
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1026.028457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.028457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.028457 (E_RNA)
where:
Base-Base interactions energy: -561.568
where: short stacking energy: -238.823
Base-Backbone interact. energy: -0.428
local terms energy: -275.032471
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -57.850
flat angles C4'-P-C4' energy: -54.968
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -56.663
Dist. restrs. and SS energy: -189.000 (S_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: 234
Temperature: 1.350000
Total energy: -1034.613009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.613009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.813009 (E_RNA)
where:
Base-Base interactions energy: -582.457
where: short stacking energy: -218.050
Base-Backbone interact. energy: -0.097
local terms energy: -261.259324
where:
bonds (distance) C4'-P energy: -51.696
bonds (distance) P-C4' energy: -65.807
flat angles C4'-P-C4' energy: -56.893
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -47.504
Dist. restrs. and SS energy: -190.800 (S_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: 235
Temperature: 0.900000
Total energy: -1451.097257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.097257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.097257 (E_RNA)
where:
Base-Base interactions energy: -863.103
where: short stacking energy: -353.382
Base-Backbone interact. energy: 0.416
local terms energy: -381.410020
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -79.088
flat angles C4'-P-C4' energy: -82.660
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: -93.793
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1415.750295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.750295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.750295 (E_RNA)
where:
Base-Base interactions energy: -838.297
where: short stacking energy: -340.979
Base-Backbone interact. energy: -1.879
local terms energy: -368.574834
where:
bonds (distance) C4'-P energy: -69.906
bonds (distance) P-C4' energy: -75.778
flat angles C4'-P-C4' energy: -77.898
flat angles P-C4'-P energy: -53.464
tors. eta vs tors. theta energy: -91.528
Dist. restrs. and SS energy: -207.000 (S_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: 235
Temperature: 1.000000
Total energy: -1402.223736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.223736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.623736 (E_RNA)
where:
Base-Base interactions energy: -819.129
where: short stacking energy: -327.043
Base-Backbone interact. energy: -0.106
local terms energy: -381.389142
where:
bonds (distance) C4'-P energy: -73.621
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -62.614
tors. eta vs tors. theta energy: -89.508
Dist. restrs. and SS energy: -201.600 (S_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: 235
Temperature: 1.050000
Total energy: -1314.403519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.403519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.603519 (E_RNA)
where:
Base-Base interactions energy: -770.322
where: short stacking energy: -298.857
Base-Backbone interact. energy: -2.350
local terms energy: -341.931908
where:
bonds (distance) C4'-P energy: -68.586
bonds (distance) P-C4' energy: -63.516
flat angles C4'-P-C4' energy: -73.441
flat angles P-C4'-P energy: -52.300
tors. eta vs tors. theta energy: -84.089
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1267.264406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.264406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.264406 (E_RNA)
where:
Base-Base interactions energy: -730.640
where: short stacking energy: -312.870
Base-Backbone interact. energy: 0.310
local terms energy: -329.934758
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -61.331
flat angles C4'-P-C4' energy: -78.177
flat angles P-C4'-P energy: -48.432
tors. eta vs tors. theta energy: -73.603
Dist. restrs. and SS energy: -207.000 (S_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: 235
Temperature: 1.150000
Total energy: -1241.794492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.794492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.394492 (E_RNA)
where:
Base-Base interactions energy: -703.678
where: short stacking energy: -268.618
Base-Backbone interact. energy: 0.022
local terms energy: -325.738815
where:
bonds (distance) C4'-P energy: -73.031
bonds (distance) P-C4' energy: -72.665
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -71.888
Dist. restrs. and SS energy: -212.400 (S_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: -1159.527542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.527542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.327542 (E_RNA)
where:
Base-Base interactions energy: -656.059
where: short stacking energy: -265.928
Base-Backbone interact. energy: 0.049
local terms energy: -298.317538
where:
bonds (distance) C4'-P energy: -55.865
bonds (distance) P-C4' energy: -68.750
flat angles C4'-P-C4' energy: -70.111
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -64.802
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1087.656314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.656314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.456314 (E_RNA)
where:
Base-Base interactions energy: -612.876
where: short stacking energy: -257.035
Base-Backbone interact. energy: 1.606
local terms energy: -280.185640
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -58.787
flat angles C4'-P-C4' energy: -71.312
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -53.489
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1118.142845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.142845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.942845 (E_RNA)
where:
Base-Base interactions energy: -639.322
where: short stacking energy: -256.710
Base-Backbone interact. energy: 1.074
local terms energy: -283.695158
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -69.602
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -63.993
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1048.259732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.259732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.859732 (E_RNA)
where:
Base-Base interactions energy: -581.828
where: short stacking energy: -234.886
Base-Backbone interact. energy: -2.811
local terms energy: -278.221188
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -63.190
flat angles C4'-P-C4' energy: -68.449
flat angles P-C4'-P energy: -54.156
tors. eta vs tors. theta energy: -44.343
Dist. restrs. and SS energy: -185.400 (S_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: 236
Temperature: 0.900000
Total energy: -1431.345183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.345183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.745183 (E_RNA)
where:
Base-Base interactions energy: -864.199
where: short stacking energy: -355.086
Base-Backbone interact. energy: -2.236
local terms energy: -363.310001
where:
bonds (distance) C4'-P energy: -66.759
bonds (distance) P-C4' energy: -65.828
flat angles C4'-P-C4' energy: -79.020
flat angles P-C4'-P energy: -49.754
tors. eta vs tors. theta energy: -101.949
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1404.525209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.525209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.325209 (E_RNA)
where:
Base-Base interactions energy: -829.780
where: short stacking energy: -325.878
Base-Backbone interact. energy: -3.391
local terms energy: -366.154254
where:
bonds (distance) C4'-P energy: -68.010
bonds (distance) P-C4' energy: -77.919
flat angles C4'-P-C4' energy: -76.655
flat angles P-C4'-P energy: -55.952
tors. eta vs tors. theta energy: -87.619
Dist. restrs. and SS energy: -205.200 (S_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: -1391.329903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.329903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.929903 (E_RNA)
where:
Base-Base interactions energy: -848.128
where: short stacking energy: -331.115
Base-Backbone interact. energy: 0.765
local terms energy: -349.566830
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -66.003
flat angles C4'-P-C4' energy: -78.069
flat angles P-C4'-P energy: -58.095
tors. eta vs tors. theta energy: -85.502
Dist. restrs. and SS energy: -194.400 (S_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: 236
Temperature: 1.050000
Total energy: -1311.832133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.832133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.432133 (E_RNA)
where:
Base-Base interactions energy: -754.787
where: short stacking energy: -300.986
Base-Backbone interact. energy: -4.590
local terms energy: -358.055700
where:
bonds (distance) C4'-P energy: -70.682
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -74.695
flat angles P-C4'-P energy: -46.768
tors. eta vs tors. theta energy: -85.659
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1245.870534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.870534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.270534 (E_RNA)
where:
Base-Base interactions energy: -706.091
where: short stacking energy: -289.753
Base-Backbone interact. energy: -0.172
local terms energy: -329.007106
where:
bonds (distance) C4'-P energy: -62.411
bonds (distance) P-C4' energy: -61.363
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -53.139
tors. eta vs tors. theta energy: -77.514
Dist. restrs. and SS energy: -210.600 (S_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: 236
Temperature: 1.150000
Total energy: -1214.966649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.966649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.966649 (E_RNA)
where:
Base-Base interactions energy: -669.128
where: short stacking energy: -275.686
Base-Backbone interact. energy: 0.003
local terms energy: -338.841253
where:
bonds (distance) C4'-P energy: -67.661
bonds (distance) P-C4' energy: -74.622
flat angles C4'-P-C4' energy: -68.949
flat angles P-C4'-P energy: -51.423
tors. eta vs tors. theta energy: -76.186
Dist. restrs. and SS energy: -207.000 (S_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: -1204.958983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.958983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.758983 (E_RNA)
where:
Base-Base interactions energy: -703.291
where: short stacking energy: -291.159
Base-Backbone interact. energy: -3.357
local terms energy: -293.110044
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -72.156
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1096.656601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.656601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.456601 (E_RNA)
where:
Base-Base interactions energy: -606.767
where: short stacking energy: -250.015
Base-Backbone interact. energy: 2.595
local terms energy: -296.283891
where:
bonds (distance) C4'-P energy: -56.599
bonds (distance) P-C4' energy: -76.798
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1094.876639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.876639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.276639 (E_RNA)
where:
Base-Base interactions energy: -643.995
where: short stacking energy: -240.987
Base-Backbone interact. energy: -1.095
local terms energy: -248.186048
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -41.280
flat angles C4'-P-C4' energy: -64.384
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: -50.281
Dist. restrs. and SS energy: -201.600 (S_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: 236
Temperature: 1.350000
Total energy: -1083.586686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.586686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.186686 (E_RNA)
where:
Base-Base interactions energy: -641.676
where: short stacking energy: -266.045
Base-Backbone interact. energy: -4.421
local terms energy: -243.089843
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -46.682
flat angles C4'-P-C4' energy: -56.115
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -55.859
Dist. restrs. and SS energy: -194.400 (S_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: 237
Temperature: 0.900000
Total energy: -1453.321879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.321879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.321879 (E_RNA)
where:
Base-Base interactions energy: -856.644
where: short stacking energy: -339.375
Base-Backbone interact. energy: -1.078
local terms energy: -388.599859
where:
bonds (distance) C4'-P energy: -72.295
bonds (distance) P-C4' energy: -80.835
flat angles C4'-P-C4' energy: -82.359
flat angles P-C4'-P energy: -58.271
tors. eta vs tors. theta energy: -94.840
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1423.341920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.341920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.141920 (E_RNA)
where:
Base-Base interactions energy: -850.308
where: short stacking energy: -345.031
Base-Backbone interact. energy: -0.563
local terms energy: -367.271672
where:
bonds (distance) C4'-P energy: -72.592
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -73.829
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -94.640
Dist. restrs. and SS energy: -205.200 (S_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: -1386.236506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.236506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.236506 (E_RNA)
where:
Base-Base interactions energy: -842.327
where: short stacking energy: -317.624
Base-Backbone interact. energy: 0.938
local terms energy: -346.847019
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -68.571
flat angles C4'-P-C4' energy: -78.071
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -78.229
Dist. restrs. and SS energy: -198.000 (S_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: -1319.588991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.588991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.988991 (E_RNA)
where:
Base-Base interactions energy: -775.112
where: short stacking energy: -317.006
Base-Backbone interact. energy: -1.348
local terms energy: -341.529179
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -73.279
flat angles C4'-P-C4' energy: -70.964
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -92.225
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1293.719539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.719539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.519539 (E_RNA)
where:
Base-Base interactions energy: -744.532
where: short stacking energy: -309.491
Base-Backbone interact. energy: -1.920
local terms energy: -333.068113
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -61.057
flat angles C4'-P-C4' energy: -76.534
flat angles P-C4'-P energy: -51.961
tors. eta vs tors. theta energy: -80.555
Dist. restrs. and SS energy: -214.200 (S_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: 237
Temperature: 1.150000
Total energy: -1233.891610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.891610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.891610 (E_RNA)
where:
Base-Base interactions energy: -714.894
where: short stacking energy: -303.897
Base-Backbone interact. energy: 0.541
local terms energy: -321.538259
where:
bonds (distance) C4'-P energy: -64.968
bonds (distance) P-C4' energy: -53.755
flat angles C4'-P-C4' energy: -75.059
flat angles P-C4'-P energy: -46.828
tors. eta vs tors. theta energy: -80.928
Dist. restrs. and SS energy: -198.000 (S_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: -1192.921831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.921831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.921831 (E_RNA)
where:
Base-Base interactions energy: -685.720
where: short stacking energy: -284.127
Base-Backbone interact. energy: 8.668
local terms energy: -308.870245
where:
bonds (distance) C4'-P energy: -51.480
bonds (distance) P-C4' energy: -63.908
flat angles C4'-P-C4' energy: -73.756
flat angles P-C4'-P energy: -50.167
tors. eta vs tors. theta energy: -69.560
Dist. restrs. and SS energy: -207.000 (S_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: 237
Temperature: 1.250000
Total energy: -1097.914570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.914570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.914570 (E_RNA)
where:
Base-Base interactions energy: -618.287
where: short stacking energy: -229.377
Base-Backbone interact. energy: -3.380
local terms energy: -278.248306
where:
bonds (distance) C4'-P energy: -62.840
bonds (distance) P-C4' energy: -63.134
flat angles C4'-P-C4' energy: -61.267
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -47.254
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1069.018407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.018407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.818407 (E_RNA)
where:
Base-Base interactions energy: -583.818
where: short stacking energy: -213.453
Base-Backbone interact. energy: 2.510
local terms energy: -291.510440
where:
bonds (distance) C4'-P energy: -60.808
bonds (distance) P-C4' energy: -64.943
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -46.308
tors. eta vs tors. theta energy: -57.508
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1069.426670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.426670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.226670 (E_RNA)
where:
Base-Base interactions energy: -618.169
where: short stacking energy: -256.771
Base-Backbone interact. energy: -3.206
local terms energy: -251.851825
where:
bonds (distance) C4'-P energy: -40.504
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -62.104
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -53.602
Dist. restrs. and SS energy: -196.200 (S_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: 238
Temperature: 0.900000
Total energy: -1446.997173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.997173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.997173 (E_RNA)
where:
Base-Base interactions energy: -869.870
where: short stacking energy: -366.408
Base-Backbone interact. energy: -1.535
local terms energy: -368.592796
where:
bonds (distance) C4'-P energy: -70.788
bonds (distance) P-C4' energy: -72.239
flat angles C4'-P-C4' energy: -80.833
flat angles P-C4'-P energy: -51.810
tors. eta vs tors. theta energy: -92.922
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1431.142274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.142274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.142274 (E_RNA)
where:
Base-Base interactions energy: -855.012
where: short stacking energy: -346.828
Base-Backbone interact. energy: -0.554
local terms energy: -368.576290
where:
bonds (distance) C4'-P energy: -66.993
bonds (distance) P-C4' energy: -80.954
flat angles C4'-P-C4' energy: -78.962
flat angles P-C4'-P energy: -50.269
tors. eta vs tors. theta energy: -91.398
Dist. restrs. and SS energy: -207.000 (S_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: 238
Temperature: 1.000000
Total energy: -1390.022841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.022841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.022841 (E_RNA)
where:
Base-Base interactions energy: -836.846
where: short stacking energy: -315.993
Base-Backbone interact. energy: 3.504
local terms energy: -358.681352
where:
bonds (distance) C4'-P energy: -67.775
bonds (distance) P-C4' energy: -70.498
flat angles C4'-P-C4' energy: -77.592
flat angles P-C4'-P energy: -57.167
tors. eta vs tors. theta energy: -85.649
Dist. restrs. and SS energy: -198.000 (S_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: 238
Temperature: 1.050000
Total energy: -1309.447666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.447666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.847666 (E_RNA)
where:
Base-Base interactions energy: -765.477
where: short stacking energy: -310.957
Base-Backbone interact. energy: 1.914
local terms energy: -344.285326
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -72.704
flat angles C4'-P-C4' energy: -83.720
flat angles P-C4'-P energy: -52.505
tors. eta vs tors. theta energy: -76.592
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1268.101482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.101482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.101482 (E_RNA)
where:
Base-Base interactions energy: -725.088
where: short stacking energy: -296.213
Base-Backbone interact. energy: -1.905
local terms energy: -325.108472
where:
bonds (distance) C4'-P energy: -59.771
bonds (distance) P-C4' energy: -62.945
flat angles C4'-P-C4' energy: -80.433
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -81.391
Dist. restrs. and SS energy: -216.000 (S_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: -1214.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.151906 (E_RNA)
where:
Base-Base interactions energy: -717.412
where: short stacking energy: -286.470
Base-Backbone interact. energy: -2.462
local terms energy: -296.278423
where:
bonds (distance) C4'-P energy: -60.093
bonds (distance) P-C4' energy: -53.462
flat angles C4'-P-C4' energy: -71.630
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -61.788
Dist. restrs. and SS energy: -198.000 (S_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: 238
Temperature: 1.200000
Total energy: -1170.641229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.641229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.441229 (E_RNA)
where:
Base-Base interactions energy: -667.888
where: short stacking energy: -265.839
Base-Backbone interact. energy: -0.557
local terms energy: -296.996591
where:
bonds (distance) C4'-P energy: -59.022
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -80.265
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -70.074
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1102.855292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.855292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.855292 (E_RNA)
where:
Base-Base interactions energy: -637.504
where: short stacking energy: -245.810
Base-Backbone interact. energy: -2.347
local terms energy: -274.003755
where:
bonds (distance) C4'-P energy: -47.857
bonds (distance) P-C4' energy: -69.285
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -50.970
tors. eta vs tors. theta energy: -41.535
Dist. restrs. and SS energy: -189.000 (S_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: 238
Temperature: 1.300000
Total energy: -1153.118797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.118797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.918797 (E_RNA)
where:
Base-Base interactions energy: -661.759
where: short stacking energy: -268.062
Base-Backbone interact. energy: 1.598
local terms energy: -296.758101
where:
bonds (distance) C4'-P energy: -60.773
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -69.474
flat angles P-C4'-P energy: -38.623
tors. eta vs tors. theta energy: -72.855
Dist. restrs. and SS energy: -196.200 (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: 238
Temperature: 1.350000
Total energy: -998.919419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.919419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.919419 (E_RNA)
where:
Base-Base interactions energy: -582.589
where: short stacking energy: -222.636
Base-Backbone interact. energy: 3.720
local terms energy: -240.050902
where:
bonds (distance) C4'-P energy: -49.775
bonds (distance) P-C4' energy: -61.902
flat angles C4'-P-C4' energy: -45.445
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -49.139
Dist. restrs. and SS energy: -180.000 (S_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: 239
Temperature: 0.900000
Total energy: -1448.822186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.822186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.222186 (E_RNA)
where:
Base-Base interactions energy: -867.971
where: short stacking energy: -351.087
Base-Backbone interact. energy: 2.197
local terms energy: -381.448198
where:
bonds (distance) C4'-P energy: -75.606
bonds (distance) P-C4' energy: -75.659
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: -98.914
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1442.306293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.306293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.306293 (E_RNA)
where:
Base-Base interactions energy: -865.271
where: short stacking energy: -353.727
Base-Backbone interact. energy: -1.857
local terms energy: -368.177909
where:
bonds (distance) C4'-P energy: -68.865
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -81.382
flat angles P-C4'-P energy: -48.473
tors. eta vs tors. theta energy: -97.425
Dist. restrs. and SS energy: -207.000 (S_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: 239
Temperature: 1.000000
Total energy: -1392.251930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.251930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.451930 (E_RNA)
where:
Base-Base interactions energy: -842.989
where: short stacking energy: -337.257
Base-Backbone interact. energy: 4.547
local terms energy: -354.010424
where:
bonds (distance) C4'-P energy: -66.117
bonds (distance) P-C4' energy: -62.344
flat angles C4'-P-C4' energy: -85.450
flat angles P-C4'-P energy: -51.800
tors. eta vs tors. theta energy: -88.299
Dist. restrs. and SS energy: -199.800 (S_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: 239
Temperature: 1.050000
Total energy: -1285.792870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.792870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.392870 (E_RNA)
where:
Base-Base interactions energy: -740.226
where: short stacking energy: -291.954
Base-Backbone interact. energy: 0.256
local terms energy: -333.422936
where:
bonds (distance) C4'-P energy: -69.047
bonds (distance) P-C4' energy: -63.053
flat angles C4'-P-C4' energy: -78.133
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -85.154
Dist. restrs. and SS energy: -212.400 (S_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: 239
Temperature: 1.100000
Total energy: -1326.702813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.702813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.902813 (E_RNA)
where:
Base-Base interactions energy: -754.016
where: short stacking energy: -306.647
Base-Backbone interact. energy: -1.015
local terms energy: -362.871846
where:
bonds (distance) C4'-P energy: -75.095
bonds (distance) P-C4' energy: -73.272
flat angles C4'-P-C4' energy: -75.805
flat angles P-C4'-P energy: -57.071
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1197.267657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.267657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.267657 (E_RNA)
where:
Base-Base interactions energy: -689.148
where: short stacking energy: -289.681
Base-Backbone interact. energy: 0.199
local terms energy: -310.318133
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -70.569
flat angles C4'-P-C4' energy: -74.177
flat angles P-C4'-P energy: -50.696
tors. eta vs tors. theta energy: -65.742
Dist. restrs. and SS energy: -198.000 (S_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: 239
Temperature: 1.200000
Total energy: -1173.738405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.738405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.738405 (E_RNA)
where:
Base-Base interactions energy: -672.216
where: short stacking energy: -258.887
Base-Backbone interact. energy: -0.080
local terms energy: -294.442641
where:
bonds (distance) C4'-P energy: -67.993
bonds (distance) P-C4' energy: -65.062
flat angles C4'-P-C4' energy: -67.656
flat angles P-C4'-P energy: -34.526
tors. eta vs tors. theta energy: -59.207
Dist. restrs. and SS energy: -207.000 (S_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: 239
Temperature: 1.250000
Total energy: -1147.004023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.004023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.004023 (E_RNA)
where:
Base-Base interactions energy: -666.790
where: short stacking energy: -254.161
Base-Backbone interact. energy: -2.013
local terms energy: -271.201727
where:
bonds (distance) C4'-P energy: -54.596
bonds (distance) P-C4' energy: -64.273
flat angles C4'-P-C4' energy: -65.183
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: -49.272
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1038.090030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.090030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.090030 (E_RNA)
where:
Base-Base interactions energy: -600.542
where: short stacking energy: -227.408
Base-Backbone interact. energy: -0.774
local terms energy: -247.774186
where:
bonds (distance) C4'-P energy: -56.469
bonds (distance) P-C4' energy: -57.608
flat angles C4'-P-C4' energy: -49.125
flat angles P-C4'-P energy: -37.917
tors. eta vs tors. theta energy: -46.655
Dist. restrs. and SS energy: -189.000 (S_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: 239
Temperature: 1.350000
Total energy: -1012.258278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.258278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.858278 (E_RNA)
where:
Base-Base interactions energy: -565.943
where: short stacking energy: -223.099
Base-Backbone interact. energy: -2.203
local terms energy: -258.712057
where:
bonds (distance) C4'-P energy: -53.419
bonds (distance) P-C4' energy: -59.451
flat angles C4'-P-C4' energy: -60.930
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -43.820
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1462.688308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.688308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.688308 (E_RNA)
where:
Base-Base interactions energy: -890.394
where: short stacking energy: -355.137
Base-Backbone interact. energy: -2.973
local terms energy: -362.321076
where:
bonds (distance) C4'-P energy: -73.028
bonds (distance) P-C4' energy: -63.518
flat angles C4'-P-C4' energy: -78.128
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: -97.562
Dist. restrs. and SS energy: -207.000 (S_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: 240
Temperature: 0.950000
Total energy: -1414.881566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.881566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.681566 (E_RNA)
where:
Base-Base interactions energy: -841.230
where: short stacking energy: -342.224
Base-Backbone interact. energy: -2.729
local terms energy: -365.723151
where:
bonds (distance) C4'-P energy: -74.802
bonds (distance) P-C4' energy: -70.229
flat angles C4'-P-C4' energy: -81.956
flat angles P-C4'-P energy: -50.733
tors. eta vs tors. theta energy: -88.003
Dist. restrs. and SS energy: -205.200 (S_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: -1417.800044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.800044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.800044 (E_RNA)
where:
Base-Base interactions energy: -852.487
where: short stacking energy: -329.822
Base-Backbone interact. energy: 0.919
local terms energy: -368.232541
where:
bonds (distance) C4'-P energy: -72.024
bonds (distance) P-C4' energy: -73.080
flat angles C4'-P-C4' energy: -76.226
flat angles P-C4'-P energy: -57.464
tors. eta vs tors. theta energy: -89.439
Dist. restrs. and SS energy: -198.000 (S_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: 240
Temperature: 1.050000
Total energy: -1313.299255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.299255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.099255 (E_RNA)
where:
Base-Base interactions energy: -760.555
where: short stacking energy: -326.950
Base-Backbone interact. energy: -1.006
local terms energy: -337.538118
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -68.228
flat angles C4'-P-C4' energy: -75.502
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -93.783
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1313.092447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.092447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.892447 (E_RNA)
where:
Base-Base interactions energy: -776.169
where: short stacking energy: -308.933
Base-Backbone interact. energy: -3.069
local terms energy: -328.654164
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -78.914
flat angles C4'-P-C4' energy: -72.985
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -77.172
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1197.407205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.407205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.607205 (E_RNA)
where:
Base-Base interactions energy: -684.633
where: short stacking energy: -284.656
Base-Backbone interact. energy: -3.306
local terms energy: -309.668294
where:
bonds (distance) C4'-P energy: -64.957
bonds (distance) P-C4' energy: -67.490
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -42.432
tors. eta vs tors. theta energy: -70.764
Dist. restrs. and SS energy: -199.800 (S_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: 240
Temperature: 1.200000
Total energy: -1186.763171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.763171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.363171 (E_RNA)
where:
Base-Base interactions energy: -677.952
where: short stacking energy: -263.115
Base-Backbone interact. energy: 3.458
local terms energy: -308.868776
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -62.467
flat angles C4'-P-C4' energy: -73.726
flat angles P-C4'-P energy: -49.159
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1164.330584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.330584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.730584 (E_RNA)
where:
Base-Base interactions energy: -669.188
where: short stacking energy: -256.768
Base-Backbone interact. energy: 1.542
local terms energy: -295.084566
where:
bonds (distance) C4'-P energy: -61.536
bonds (distance) P-C4' energy: -66.815
flat angles C4'-P-C4' energy: -68.751
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -53.335
Dist. restrs. and SS energy: -201.600 (S_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: 240
Temperature: 1.300000
Total energy: -1058.819383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.819383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.219383 (E_RNA)
where:
Base-Base interactions energy: -620.670
where: short stacking energy: -249.409
Base-Backbone interact. energy: -2.810
local terms energy: -242.738776
where:
bonds (distance) C4'-P energy: -44.521
bonds (distance) P-C4' energy: -56.663
flat angles C4'-P-C4' energy: -66.362
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -50.983
Dist. restrs. and SS energy: -192.600 (S_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: 240
Temperature: 1.350000
Total energy: -1005.038859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.038859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.638859 (E_RNA)
where:
Base-Base interactions energy: -554.284
where: short stacking energy: -220.643
Base-Backbone interact. energy: -1.986
local terms energy: -263.368878
where:
bonds (distance) C4'-P energy: -51.313
bonds (distance) P-C4' energy: -61.708
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -40.691
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1496.779095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.779095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.379095 (E_RNA)
where:
Base-Base interactions energy: -908.638
where: short stacking energy: -357.385
Base-Backbone interact. energy: -2.381
local terms energy: -382.360259
where:
bonds (distance) C4'-P energy: -68.685
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -79.219
flat angles P-C4'-P energy: -60.978
tors. eta vs tors. theta energy: -101.045
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1406.199492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.199492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.999492 (E_RNA)
where:
Base-Base interactions energy: -838.024
where: short stacking energy: -333.157
Base-Backbone interact. energy: -2.876
local terms energy: -360.098697
where:
bonds (distance) C4'-P energy: -67.383
bonds (distance) P-C4' energy: -67.641
flat angles C4'-P-C4' energy: -81.024
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -88.320
Dist. restrs. and SS energy: -205.200 (S_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: -1392.254807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.254807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.454807 (E_RNA)
where:
Base-Base interactions energy: -842.806
where: short stacking energy: -338.537
Base-Backbone interact. energy: -1.153
local terms energy: -348.495932
where:
bonds (distance) C4'-P energy: -57.464
bonds (distance) P-C4' energy: -68.019
flat angles C4'-P-C4' energy: -75.701
flat angles P-C4'-P energy: -54.628
tors. eta vs tors. theta energy: -92.685
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1321.255852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.255852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.655852 (E_RNA)
where:
Base-Base interactions energy: -755.278
where: short stacking energy: -321.091
Base-Backbone interact. energy: 0.862
local terms energy: -356.239958
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -69.039
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -91.244
Dist. restrs. and SS energy: -210.600 (S_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: 241
Temperature: 1.100000
Total energy: -1306.953776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.953776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.353776 (E_RNA)
where:
Base-Base interactions energy: -788.597
where: short stacking energy: -298.777
Base-Backbone interact. energy: -3.485
local terms energy: -313.271006
where:
bonds (distance) C4'-P energy: -64.922
bonds (distance) P-C4' energy: -59.359
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -79.075
Dist. restrs. and SS energy: -201.600 (S_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: 241
Temperature: 1.150000
Total energy: -1224.768495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.768495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.568495 (E_RNA)
where:
Base-Base interactions energy: -702.479
where: short stacking energy: -287.730
Base-Backbone interact. energy: -1.535
local terms energy: -324.554124
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -64.292
flat angles P-C4'-P energy: -55.357
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1167.936031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.936031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.736031 (E_RNA)
where:
Base-Base interactions energy: -695.536
where: short stacking energy: -259.738
Base-Backbone interact. energy: 1.077
local terms energy: -277.277696
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -66.440
flat angles C4'-P-C4' energy: -64.449
flat angles P-C4'-P energy: -47.404
tors. eta vs tors. theta energy: -50.477
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1072.352485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.352485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.152485 (E_RNA)
where:
Base-Base interactions energy: -620.728
where: short stacking energy: -249.732
Base-Backbone interact. energy: 2.281
local terms energy: -266.705397
where:
bonds (distance) C4'-P energy: -51.345
bonds (distance) P-C4' energy: -67.380
flat angles C4'-P-C4' energy: -65.535
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1094.898904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.898904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.498904 (E_RNA)
where:
Base-Base interactions energy: -645.206
where: short stacking energy: -263.357
Base-Backbone interact. energy: 4.488
local terms energy: -259.780721
where:
bonds (distance) C4'-P energy: -41.304
bonds (distance) P-C4' energy: -46.083
flat angles C4'-P-C4' energy: -70.707
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -59.790
Dist. restrs. and SS energy: -194.400 (S_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: 241
Temperature: 1.350000
Total energy: -967.210473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.210473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.410473 (E_RNA)
where:
Base-Base interactions energy: -543.609
where: short stacking energy: -214.582
Base-Backbone interact. energy: -1.544
local terms energy: -231.256814
where:
bonds (distance) C4'-P energy: -46.593
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -55.363
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1461.896323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.896323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.096323 (E_RNA)
where:
Base-Base interactions energy: -885.225
where: short stacking energy: -344.336
Base-Backbone interact. energy: -4.305
local terms energy: -363.566490
where:
bonds (distance) C4'-P energy: -75.009
bonds (distance) P-C4' energy: -69.762
flat angles C4'-P-C4' energy: -75.694
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: -95.063
Dist. restrs. and SS energy: -208.800 (S_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: 242
Temperature: 0.950000
Total energy: -1409.331716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.331716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.331716 (E_RNA)
where:
Base-Base interactions energy: -850.423
where: short stacking energy: -349.389
Base-Backbone interact. energy: 1.696
local terms energy: -353.604688
where:
bonds (distance) C4'-P energy: -74.657
bonds (distance) P-C4' energy: -63.995
flat angles C4'-P-C4' energy: -75.087
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -95.232
Dist. restrs. and SS energy: -207.000 (S_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: 242
Temperature: 1.000000
Total energy: -1350.291882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.291882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.291882 (E_RNA)
where:
Base-Base interactions energy: -779.153
where: short stacking energy: -325.854
Base-Backbone interact. energy: -0.159
local terms energy: -354.980282
where:
bonds (distance) C4'-P energy: -72.861
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -74.483
flat angles P-C4'-P energy: -51.457
tors. eta vs tors. theta energy: -92.501
Dist. restrs. and SS energy: -216.000 (S_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: 242
Temperature: 1.050000
Total energy: -1359.076294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.076294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.476294 (E_RNA)
where:
Base-Base interactions energy: -806.802
where: short stacking energy: -313.326
Base-Backbone interact. energy: -3.198
local terms energy: -347.475683
where:
bonds (distance) C4'-P energy: -74.606
bonds (distance) P-C4' energy: -73.230
flat angles C4'-P-C4' energy: -66.337
flat angles P-C4'-P energy: -54.932
tors. eta vs tors. theta energy: -78.370
Dist. restrs. and SS energy: -201.600 (S_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: 242
Temperature: 1.100000
Total energy: -1317.765629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.765629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.565629 (E_RNA)
where:
Base-Base interactions energy: -752.048
where: short stacking energy: -311.239
Base-Backbone interact. energy: -3.523
local terms energy: -356.994717
where:
bonds (distance) C4'-P energy: -75.385
bonds (distance) P-C4' energy: -73.485
flat angles C4'-P-C4' energy: -75.607
flat angles P-C4'-P energy: -48.236
tors. eta vs tors. theta energy: -84.281
Dist. restrs. and SS energy: -205.200 (S_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: 242
Temperature: 1.150000
Total energy: -1198.149024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.149024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.349024 (E_RNA)
where:
Base-Base interactions energy: -669.585
where: short stacking energy: -277.038
Base-Backbone interact. energy: -2.052
local terms energy: -317.711412
where:
bonds (distance) C4'-P energy: -67.078
bonds (distance) P-C4' energy: -63.487
flat angles C4'-P-C4' energy: -72.775
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -67.466
Dist. restrs. and SS energy: -208.800 (S_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: 242
Temperature: 1.200000
Total energy: -1188.247390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.247390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.647390 (E_RNA)
where:
Base-Base interactions energy: -676.318
where: short stacking energy: -249.675
Base-Backbone interact. energy: 4.366
local terms energy: -314.695100
where:
bonds (distance) C4'-P energy: -59.272
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -74.192
flat angles P-C4'-P energy: -46.773
tors. eta vs tors. theta energy: -70.667
Dist. restrs. and SS energy: -201.600 (S_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: 242
Temperature: 1.250000
Total energy: -1069.564418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.564418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.964418 (E_RNA)
where:
Base-Base interactions energy: -600.737
where: short stacking energy: -230.729
Base-Backbone interact. energy: -1.522
local terms energy: -283.705519
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -64.816
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -58.564
Dist. restrs. and SS energy: -183.600 (S_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: 242
Temperature: 1.300000
Total energy: -1099.906392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.906392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.106392 (E_RNA)
where:
Base-Base interactions energy: -642.618
where: short stacking energy: -246.234
Base-Backbone interact. energy: -2.144
local terms energy: -255.344862
where:
bonds (distance) C4'-P energy: -51.191
bonds (distance) P-C4' energy: -45.115
flat angles C4'-P-C4' energy: -68.797
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -55.031
Dist. restrs. and SS energy: -199.800 (S_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: -960.669616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.669616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.269616 (E_RNA)
where:
Base-Base interactions energy: -526.363
where: short stacking energy: -210.552
Base-Backbone interact. energy: 2.077
local terms energy: -268.983550
where:
bonds (distance) C4'-P energy: -64.032
bonds (distance) P-C4' energy: -59.184
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -54.007
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1447.788492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.788492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.988492 (E_RNA)
where:
Base-Base interactions energy: -858.409
where: short stacking energy: -343.027
Base-Backbone interact. energy: -0.586
local terms energy: -379.994224
where:
bonds (distance) C4'-P energy: -78.669
bonds (distance) P-C4' energy: -75.117
flat angles C4'-P-C4' energy: -78.635
flat angles P-C4'-P energy: -52.957
tors. eta vs tors. theta energy: -94.616
Dist. restrs. and SS energy: -208.800 (S_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: 243
Temperature: 0.950000
Total energy: -1434.412731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.412731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.012731 (E_RNA)
where:
Base-Base interactions energy: -852.909
where: short stacking energy: -352.925
Base-Backbone interact. energy: -0.680
local terms energy: -377.424335
where:
bonds (distance) C4'-P energy: -75.628
bonds (distance) P-C4' energy: -73.874
flat angles C4'-P-C4' energy: -72.461
flat angles P-C4'-P energy: -57.467
tors. eta vs tors. theta energy: -97.994
Dist. restrs. and SS energy: -203.400 (S_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: 243
Temperature: 1.000000
Total energy: -1330.960543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.960543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.760543 (E_RNA)
where:
Base-Base interactions energy: -768.673
where: short stacking energy: -326.922
Base-Backbone interact. energy: -4.010
local terms energy: -344.077195
where:
bonds (distance) C4'-P energy: -67.715
bonds (distance) P-C4' energy: -63.189
flat angles C4'-P-C4' energy: -72.816
flat angles P-C4'-P energy: -53.067
tors. eta vs tors. theta energy: -87.290
Dist. restrs. and SS energy: -214.200 (S_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: 243
Temperature: 1.050000
Total energy: -1340.928136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.928136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.528136 (E_RNA)
where:
Base-Base interactions energy: -821.031
where: short stacking energy: -304.873
Base-Backbone interact. energy: -1.933
local terms energy: -323.563361
where:
bonds (distance) C4'-P energy: -56.216
bonds (distance) P-C4' energy: -72.326
flat angles C4'-P-C4' energy: -63.741
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -80.753
Dist. restrs. and SS energy: -194.400 (S_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: 243
Temperature: 1.100000
Total energy: -1329.472606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.472606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.672606 (E_RNA)
where:
Base-Base interactions energy: -786.888
where: short stacking energy: -295.862
Base-Backbone interact. energy: -2.280
local terms energy: -331.504193
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -60.211
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -52.174
tors. eta vs tors. theta energy: -86.460
Dist. restrs. and SS energy: -208.800 (S_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: 243
Temperature: 1.150000
Total energy: -1207.554906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.554906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.754906 (E_RNA)
where:
Base-Base interactions energy: -706.601
where: short stacking energy: -296.462
Base-Backbone interact. energy: -0.259
local terms energy: -291.894791
where:
bonds (distance) C4'-P energy: -58.786
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -66.776
Dist. restrs. and SS energy: -208.800 (S_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: 243
Temperature: 1.200000
Total energy: -1211.372569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.372569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.172569 (E_RNA)
where:
Base-Base interactions energy: -718.751
where: short stacking energy: -289.552
Base-Backbone interact. energy: 0.823
local terms energy: -297.244549
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -70.509
flat angles C4'-P-C4' energy: -66.068
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -59.510
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1119.521572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.521572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.721572 (E_RNA)
where:
Base-Base interactions energy: -658.298
where: short stacking energy: -270.964
Base-Backbone interact. energy: -1.126
local terms energy: -269.297560
where:
bonds (distance) C4'-P energy: -55.511
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -38.855
tors. eta vs tors. theta energy: -64.385
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1056.134175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.134175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.134175 (E_RNA)
where:
Base-Base interactions energy: -603.341
where: short stacking energy: -219.406
Base-Backbone interact. energy: 1.879
local terms energy: -256.672166
where:
bonds (distance) C4'-P energy: -63.802
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -61.441
flat angles P-C4'-P energy: -37.323
tors. eta vs tors. theta energy: -41.837
Dist. restrs. and SS energy: -198.000 (S_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: -962.890507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.890507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.490507 (E_RNA)
where:
Base-Base interactions energy: -520.983
where: short stacking energy: -216.470
Base-Backbone interact. energy: -0.761
local terms energy: -273.746024
where:
bonds (distance) C4'-P energy: -61.814
bonds (distance) P-C4' energy: -55.806
flat angles C4'-P-C4' energy: -66.788
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -54.741
Dist. restrs. and SS energy: -167.400 (S_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: 244
Temperature: 0.900000
Total energy: -1449.668133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.668133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.868133 (E_RNA)
where:
Base-Base interactions energy: -851.049
where: short stacking energy: -351.483
Base-Backbone interact. energy: -1.430
local terms energy: -388.388696
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -88.998
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -96.764
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1406.675881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.675881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.875881 (E_RNA)
where:
Base-Base interactions energy: -825.803
where: short stacking energy: -346.521
Base-Backbone interact. energy: -2.140
local terms energy: -369.932924
where:
bonds (distance) C4'-P energy: -70.999
bonds (distance) P-C4' energy: -79.524
flat angles C4'-P-C4' energy: -79.734
flat angles P-C4'-P energy: -51.825
tors. eta vs tors. theta energy: -87.851
Dist. restrs. and SS energy: -208.800 (S_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: -1361.026464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.026464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.826464 (E_RNA)
where:
Base-Base interactions energy: -840.827
where: short stacking energy: -341.157
Base-Backbone interact. energy: -1.085
local terms energy: -322.914802
where:
bonds (distance) C4'-P energy: -52.843
bonds (distance) P-C4' energy: -70.794
flat angles C4'-P-C4' energy: -69.882
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -84.175
Dist. restrs. and SS energy: -196.200 (S_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: 244
Temperature: 1.050000
Total energy: -1323.031171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.031171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.031171 (E_RNA)
where:
Base-Base interactions energy: -772.333
where: short stacking energy: -321.533
Base-Backbone interact. energy: 0.970
local terms energy: -335.667555
where:
bonds (distance) C4'-P energy: -64.163
bonds (distance) P-C4' energy: -71.505
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -80.262
Dist. restrs. and SS energy: -216.000 (S_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: 244
Temperature: 1.100000
Total energy: -1335.238201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.238201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.038201 (E_RNA)
where:
Base-Base interactions energy: -799.832
where: short stacking energy: -299.999
Base-Backbone interact. energy: -0.541
local terms energy: -320.665603
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -58.537
flat angles C4'-P-C4' energy: -77.514
flat angles P-C4'-P energy: -48.540
tors. eta vs tors. theta energy: -83.771
Dist. restrs. and SS energy: -214.200 (S_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: 244
Temperature: 1.150000
Total energy: -1214.526229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.526229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.726229 (E_RNA)
where:
Base-Base interactions energy: -700.491
where: short stacking energy: -281.329
Base-Backbone interact. energy: -1.111
local terms energy: -304.124897
where:
bonds (distance) C4'-P energy: -58.770
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -69.331
flat angles P-C4'-P energy: -61.339
tors. eta vs tors. theta energy: -65.580
Dist. restrs. and SS energy: -208.800 (S_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: -1165.760331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.760331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.160331 (E_RNA)
where:
Base-Base interactions energy: -666.571
where: short stacking energy: -256.137
Base-Backbone interact. energy: 3.299
local terms energy: -300.887350
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -62.709
flat angles C4'-P-C4' energy: -71.633
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -68.956
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1157.573730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.573730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.773730 (E_RNA)
where:
Base-Base interactions energy: -650.054
where: short stacking energy: -245.496
Base-Backbone interact. energy: -1.383
local terms energy: -306.336646
where:
bonds (distance) C4'-P energy: -66.069
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -70.888
flat angles P-C4'-P energy: -44.181
tors. eta vs tors. theta energy: -56.321
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1125.934495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.934495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.534495 (E_RNA)
where:
Base-Base interactions energy: -631.619
where: short stacking energy: -270.569
Base-Backbone interact. energy: 0.611
local terms energy: -291.526613
where:
bonds (distance) C4'-P energy: -67.235
bonds (distance) P-C4' energy: -58.966
flat angles C4'-P-C4' energy: -71.385
flat angles P-C4'-P energy: -35.238
tors. eta vs tors. theta energy: -58.702
Dist. restrs. and SS energy: -203.400 (S_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: -956.465003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.465003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.265003 (E_RNA)
where:
Base-Base interactions energy: -528.689
where: short stacking energy: -220.829
Base-Backbone interact. energy: -1.417
local terms energy: -257.159950
where:
bonds (distance) C4'-P energy: -66.420
bonds (distance) P-C4' energy: -54.111
flat angles C4'-P-C4' energy: -54.311
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: -45.733
Dist. restrs. and SS energy: -169.200 (S_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: 245
Temperature: 0.900000
Total energy: -1465.230150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.230150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.230150 (E_RNA)
where:
Base-Base interactions energy: -868.928
where: short stacking energy: -348.454
Base-Backbone interact. energy: 3.498
local terms energy: -392.800302
where:
bonds (distance) C4'-P energy: -73.471
bonds (distance) P-C4' energy: -74.752
flat angles C4'-P-C4' energy: -88.432
flat angles P-C4'-P energy: -57.586
tors. eta vs tors. theta energy: -98.560
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1410.700743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.700743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.300743 (E_RNA)
where:
Base-Base interactions energy: -858.436
where: short stacking energy: -339.253
Base-Backbone interact. energy: 4.944
local terms energy: -353.808211
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -72.112
flat angles C4'-P-C4' energy: -84.681
flat angles P-C4'-P energy: -49.002
tors. eta vs tors. theta energy: -84.729
Dist. restrs. and SS energy: -203.400 (S_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: 245
Temperature: 1.000000
Total energy: -1383.357442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.357442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.757442 (E_RNA)
where:
Base-Base interactions energy: -841.500
where: short stacking energy: -332.538
Base-Backbone interact. energy: -2.936
local terms energy: -337.321122
where:
bonds (distance) C4'-P energy: -60.746
bonds (distance) P-C4' energy: -65.299
flat angles C4'-P-C4' energy: -75.744
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: -87.076
Dist. restrs. and SS energy: -201.600 (S_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: 245
Temperature: 1.050000
Total energy: -1349.104297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.104297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.104297 (E_RNA)
where:
Base-Base interactions energy: -808.197
where: short stacking energy: -320.371
Base-Backbone interact. energy: -3.586
local terms energy: -321.321518
where:
bonds (distance) C4'-P energy: -51.992
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -76.515
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -89.747
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1297.405405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.405405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.005405 (E_RNA)
where:
Base-Base interactions energy: -747.219
where: short stacking energy: -295.341
Base-Backbone interact. energy: -1.182
local terms energy: -327.603980
where:
bonds (distance) C4'-P energy: -64.138
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -68.848
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -78.175
Dist. restrs. and SS energy: -221.400 (S_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: 245
Temperature: 1.150000
Total energy: -1234.949164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.949164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.149164 (E_RNA)
where:
Base-Base interactions energy: -701.579
where: short stacking energy: -279.648
Base-Backbone interact. energy: 0.525
local terms energy: -325.095540
where:
bonds (distance) C4'-P energy: -67.794
bonds (distance) P-C4' energy: -69.536
flat angles C4'-P-C4' energy: -69.203
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: -208.800 (S_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: -1137.970665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.970665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.570665 (E_RNA)
where:
Base-Base interactions energy: -627.166
where: short stacking energy: -262.907
Base-Backbone interact. energy: 2.910
local terms energy: -310.314909
where:
bonds (distance) C4'-P energy: -61.239
bonds (distance) P-C4' energy: -71.076
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: -63.802
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1119.717455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.717455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.917455 (E_RNA)
where:
Base-Base interactions energy: -656.292
where: short stacking energy: -241.075
Base-Backbone interact. energy: -1.039
local terms energy: -262.586104
where:
bonds (distance) C4'-P energy: -65.921
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: -50.278
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1131.690344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.690344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.490344 (E_RNA)
where:
Base-Base interactions energy: -631.573
where: short stacking energy: -266.182
Base-Backbone interact. energy: -1.257
local terms energy: -293.659369
where:
bonds (distance) C4'-P energy: -50.116
bonds (distance) P-C4' energy: -63.594
flat angles C4'-P-C4' energy: -67.444
flat angles P-C4'-P energy: -48.159
tors. eta vs tors. theta energy: -64.346
Dist. restrs. and SS energy: -205.200 (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: 245
Temperature: 1.350000
Total energy: -957.080238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.080238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.680238 (E_RNA)
where:
Base-Base interactions energy: -516.111
where: short stacking energy: -217.260
Base-Backbone interact. energy: -1.660
local terms energy: -271.909624
where:
bonds (distance) C4'-P energy: -58.601
bonds (distance) P-C4' energy: -69.969
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -49.313
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1440.336237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.336237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.136237 (E_RNA)
where:
Base-Base interactions energy: -871.039
where: short stacking energy: -349.200
Base-Backbone interact. energy: 0.395
local terms energy: -364.491342
where:
bonds (distance) C4'-P energy: -70.096
bonds (distance) P-C4' energy: -69.581
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -85.822
Dist. restrs. and SS energy: -205.200 (S_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: 246
Temperature: 0.950000
Total energy: -1423.813033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.813033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.813033 (E_RNA)
where:
Base-Base interactions energy: -846.753
where: short stacking energy: -331.829
Base-Backbone interact. energy: -1.749
local terms energy: -368.310472
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -73.726
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -96.257
Dist. restrs. and SS energy: -207.000 (S_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: 246
Temperature: 1.000000
Total energy: -1406.708893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.708893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.508893 (E_RNA)
where:
Base-Base interactions energy: -820.335
where: short stacking energy: -334.993
Base-Backbone interact. energy: 0.206
local terms energy: -372.379681
where:
bonds (distance) C4'-P energy: -79.031
bonds (distance) P-C4' energy: -65.340
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -97.534
Dist. restrs. and SS energy: -214.200 (S_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: 246
Temperature: 1.050000
Total energy: -1362.097356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.097356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.497356 (E_RNA)
where:
Base-Base interactions energy: -813.608
where: short stacking energy: -310.811
Base-Backbone interact. energy: -2.702
local terms energy: -344.187699
where:
bonds (distance) C4'-P energy: -63.653
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -68.394
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -85.932
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1251.067695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.067695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.667695 (E_RNA)
where:
Base-Base interactions energy: -697.338
where: short stacking energy: -302.244
Base-Backbone interact. energy: -1.572
local terms energy: -348.757530
where:
bonds (distance) C4'-P energy: -70.867
bonds (distance) P-C4' energy: -69.039
flat angles C4'-P-C4' energy: -69.657
flat angles P-C4'-P energy: -47.942
tors. eta vs tors. theta energy: -91.253
Dist. restrs. and SS energy: -203.400 (S_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: 246
Temperature: 1.150000
Total energy: -1258.648487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.648487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.648487 (E_RNA)
where:
Base-Base interactions energy: -730.404
where: short stacking energy: -287.551
Base-Backbone interact. energy: -1.896
local terms energy: -310.347938
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -67.880
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -44.438
tors. eta vs tors. theta energy: -75.000
Dist. restrs. and SS energy: -216.000 (S_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: -1172.571160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.571160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.171160 (E_RNA)
where:
Base-Base interactions energy: -690.993
where: short stacking energy: -278.365
Base-Backbone interact. energy: -2.125
local terms energy: -285.052211
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -58.309
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -64.405
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1112.702046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.702046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.102046 (E_RNA)
where:
Base-Base interactions energy: -623.514
where: short stacking energy: -260.428
Base-Backbone interact. energy: -1.639
local terms energy: -285.948564
where:
bonds (distance) C4'-P energy: -65.983
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -69.036
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: -63.399
Dist. restrs. and SS energy: -201.600 (S_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: 246
Temperature: 1.300000
Total energy: -1108.733115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.733115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.533115 (E_RNA)
where:
Base-Base interactions energy: -617.604
where: short stacking energy: -252.908
Base-Backbone interact. energy: 1.588
local terms energy: -296.516840
where:
bonds (distance) C4'-P energy: -55.716
bonds (distance) P-C4' energy: -58.072
flat angles C4'-P-C4' energy: -89.588
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: -60.556
Dist. restrs. and SS energy: -196.200 (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: 246
Temperature: 1.350000
Total energy: -963.879005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.879005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.679005 (E_RNA)
where:
Base-Base interactions energy: -537.193
where: short stacking energy: -229.268
Base-Backbone interact. energy: -1.271
local terms energy: -256.214806
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -56.905
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -50.066
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1459.757639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.757639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.557639 (E_RNA)
where:
Base-Base interactions energy: -890.358
where: short stacking energy: -341.731
Base-Backbone interact. energy: -2.094
local terms energy: -362.106409
where:
bonds (distance) C4'-P energy: -76.135
bonds (distance) P-C4' energy: -76.965
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -50.557
tors. eta vs tors. theta energy: -82.730
Dist. restrs. and SS energy: -205.200 (S_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: 247
Temperature: 0.950000
Total energy: -1441.079493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.079493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.479493 (E_RNA)
where:
Base-Base interactions energy: -846.875
where: short stacking energy: -347.347
Base-Backbone interact. energy: -1.659
local terms energy: -381.945558
where:
bonds (distance) C4'-P energy: -80.280
bonds (distance) P-C4' energy: -75.691
flat angles C4'-P-C4' energy: -82.976
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -97.224
Dist. restrs. and SS energy: -210.600 (S_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: 247
Temperature: 1.000000
Total energy: -1424.293729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.293729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.493729 (E_RNA)
where:
Base-Base interactions energy: -842.732
where: short stacking energy: -341.934
Base-Backbone interact. energy: -1.439
local terms energy: -371.322675
where:
bonds (distance) C4'-P energy: -68.036
bonds (distance) P-C4' energy: -76.011
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -56.305
tors. eta vs tors. theta energy: -95.321
Dist. restrs. and SS energy: -208.800 (S_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: 247
Temperature: 1.050000
Total energy: -1363.312905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.312905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.312905 (E_RNA)
where:
Base-Base interactions energy: -826.466
where: short stacking energy: -329.266
Base-Backbone interact. energy: -0.229
local terms energy: -338.617443
where:
bonds (distance) C4'-P energy: -60.421
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -69.980
flat angles P-C4'-P energy: -47.552
tors. eta vs tors. theta energy: -83.630
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1268.096911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.096911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.296911 (E_RNA)
where:
Base-Base interactions energy: -752.690
where: short stacking energy: -308.149
Base-Backbone interact. energy: -0.183
local terms energy: -306.424500
where:
bonds (distance) C4'-P energy: -59.093
bonds (distance) P-C4' energy: -59.275
flat angles C4'-P-C4' energy: -72.130
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -77.601
Dist. restrs. and SS energy: -208.800 (S_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: -1242.329311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.329311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.129311 (E_RNA)
where:
Base-Base interactions energy: -720.833
where: short stacking energy: -290.935
Base-Backbone interact. energy: -2.628
local terms energy: -322.667898
where:
bonds (distance) C4'-P energy: -72.039
bonds (distance) P-C4' energy: -65.984
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -40.959
tors. eta vs tors. theta energy: -73.860
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1210.013485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.013485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.013485 (E_RNA)
where:
Base-Base interactions energy: -705.238
where: short stacking energy: -262.547
Base-Backbone interact. energy: -1.525
local terms energy: -296.250326
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -70.308
flat angles C4'-P-C4' energy: -70.885
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -67.894
Dist. restrs. and SS energy: -207.000 (S_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: 247
Temperature: 1.250000
Total energy: -1123.845121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.845121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.045121 (E_RNA)
where:
Base-Base interactions energy: -638.816
where: short stacking energy: -256.644
Base-Backbone interact. energy: -1.544
local terms energy: -274.685162
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -66.023
flat angles C4'-P-C4' energy: -62.598
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -67.278
Dist. restrs. and SS energy: -208.800 (S_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: -1076.247073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.247073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.447073 (E_RNA)
where:
Base-Base interactions energy: -587.394
where: short stacking energy: -230.562
Base-Backbone interact. energy: -5.842
local terms energy: -292.210774
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -65.461
flat angles C4'-P-C4' energy: -60.675
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -65.969
Dist. restrs. and SS energy: -190.800 (S_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: 247
Temperature: 1.350000
Total energy: -953.310059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.310059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.310059 (E_RNA)
where:
Base-Base interactions energy: -544.055
where: short stacking energy: -207.105
Base-Backbone interact. energy: 2.736
local terms energy: -240.991051
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -49.263
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -47.011
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1468.594921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.594921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.394921 (E_RNA)
where:
Base-Base interactions energy: -894.038
where: short stacking energy: -351.721
Base-Backbone interact. energy: -1.339
local terms energy: -368.018135
where:
bonds (distance) C4'-P energy: -76.175
bonds (distance) P-C4' energy: -74.165
flat angles C4'-P-C4' energy: -83.871
flat angles P-C4'-P energy: -49.839
tors. eta vs tors. theta energy: -83.968
Dist. restrs. and SS energy: -205.200 (S_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: 248
Temperature: 0.950000
Total energy: -1424.993299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.993299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.393299 (E_RNA)
where:
Base-Base interactions energy: -831.988
where: short stacking energy: -338.809
Base-Backbone interact. energy: -3.008
local terms energy: -379.397428
where:
bonds (distance) C4'-P energy: -75.458
bonds (distance) P-C4' energy: -76.884
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -97.756
Dist. restrs. and SS energy: -210.600 (S_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: 248
Temperature: 1.000000
Total energy: -1397.652979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.652979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.852979 (E_RNA)
where:
Base-Base interactions energy: -858.558
where: short stacking energy: -342.281
Base-Backbone interact. energy: -0.306
local terms energy: -329.988972
where:
bonds (distance) C4'-P energy: -63.115
bonds (distance) P-C4' energy: -54.942
flat angles C4'-P-C4' energy: -69.861
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -93.911
Dist. restrs. and SS energy: -208.800 (S_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: 248
Temperature: 1.050000
Total energy: -1345.292119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.292119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.492119 (E_RNA)
where:
Base-Base interactions energy: -812.253
where: short stacking energy: -340.308
Base-Backbone interact. energy: -3.351
local terms energy: -338.888926
where:
bonds (distance) C4'-P energy: -64.652
bonds (distance) P-C4' energy: -60.885
flat angles C4'-P-C4' energy: -78.740
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -90.918
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1259.681031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.681031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.881031 (E_RNA)
where:
Base-Base interactions energy: -735.879
where: short stacking energy: -296.487
Base-Backbone interact. energy: -0.273
local terms energy: -314.729496
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -68.938
flat angles C4'-P-C4' energy: -70.788
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: -78.658
Dist. restrs. and SS energy: -208.800 (S_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: -1227.443901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.443901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.043901 (E_RNA)
where:
Base-Base interactions energy: -697.114
where: short stacking energy: -269.356
Base-Backbone interact. energy: -0.097
local terms energy: -326.833035
where:
bonds (distance) C4'-P energy: -66.493
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -71.510
flat angles P-C4'-P energy: -54.299
tors. eta vs tors. theta energy: -77.340
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1198.809277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.809277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.609277 (E_RNA)
where:
Base-Base interactions energy: -673.387
where: short stacking energy: -249.528
Base-Backbone interact. energy: -3.025
local terms energy: -308.197739
where:
bonds (distance) C4'-P energy: -66.412
bonds (distance) P-C4' energy: -66.453
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -38.232
tors. eta vs tors. theta energy: -65.091
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1146.411710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.411710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.211710 (E_RNA)
where:
Base-Base interactions energy: -647.336
where: short stacking energy: -250.287
Base-Backbone interact. energy: 1.310
local terms energy: -295.185874
where:
bonds (distance) C4'-P energy: -55.576
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -70.661
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -63.991
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1031.151865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.151865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.951865 (E_RNA)
where:
Base-Base interactions energy: -568.045
where: short stacking energy: -218.256
Base-Backbone interact. energy: 0.125
local terms energy: -285.031720
where:
bonds (distance) C4'-P energy: -65.414
bonds (distance) P-C4' energy: -69.049
flat angles C4'-P-C4' energy: -65.788
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -51.772
Dist. restrs. and SS energy: -178.200 (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: 248
Temperature: 1.350000
Total energy: -969.991597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.991597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.191597 (E_RNA)
where:
Base-Base interactions energy: -533.982
where: short stacking energy: -210.404
Base-Backbone interact. energy: -1.412
local terms energy: -252.797668
where:
bonds (distance) C4'-P energy: -62.530
bonds (distance) P-C4' energy: -50.596
flat angles C4'-P-C4' energy: -54.512
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -47.034
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1479.794209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.794209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.594209 (E_RNA)
where:
Base-Base interactions energy: -887.799
where: short stacking energy: -346.964
Base-Backbone interact. energy: -2.225
local terms energy: -384.570508
where:
bonds (distance) C4'-P energy: -77.018
bonds (distance) P-C4' energy: -74.692
flat angles C4'-P-C4' energy: -86.243
flat angles P-C4'-P energy: -49.098
tors. eta vs tors. theta energy: -97.520
Dist. restrs. and SS energy: -205.200 (S_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: 249
Temperature: 0.950000
Total energy: -1410.142392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.142392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.142392 (E_RNA)
where:
Base-Base interactions energy: -838.801
where: short stacking energy: -326.521
Base-Backbone interact. energy: -3.269
local terms energy: -352.072409
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -72.331
flat angles C4'-P-C4' energy: -80.931
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -84.933
Dist. restrs. and SS energy: -216.000 (S_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: -1401.197213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.197213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.397213 (E_RNA)
where:
Base-Base interactions energy: -848.459
where: short stacking energy: -343.624
Base-Backbone interact. energy: 0.436
local terms energy: -344.374871
where:
bonds (distance) C4'-P energy: -65.564
bonds (distance) P-C4' energy: -61.623
flat angles C4'-P-C4' energy: -69.563
flat angles P-C4'-P energy: -48.907
tors. eta vs tors. theta energy: -98.718
Dist. restrs. and SS energy: -208.800 (S_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: 249
Temperature: 1.050000
Total energy: -1348.731785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.731785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.531785 (E_RNA)
where:
Base-Base interactions energy: -799.273
where: short stacking energy: -309.116
Base-Backbone interact. energy: -1.198
local terms energy: -352.061171
where:
bonds (distance) C4'-P energy: -67.650
bonds (distance) P-C4' energy: -66.034
flat angles C4'-P-C4' energy: -68.175
flat angles P-C4'-P energy: -53.889
tors. eta vs tors. theta energy: -96.314
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1298.500909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.500909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.500909 (E_RNA)
where:
Base-Base interactions energy: -741.786
where: short stacking energy: -320.823
Base-Backbone interact. energy: -2.274
local terms energy: -347.440902
where:
bonds (distance) C4'-P energy: -58.531
bonds (distance) P-C4' energy: -67.171
flat angles C4'-P-C4' energy: -85.005
flat angles P-C4'-P energy: -54.181
tors. eta vs tors. theta energy: -82.552
Dist. restrs. and SS energy: -207.000 (S_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: -1222.325927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.325927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.725927 (E_RNA)
where:
Base-Base interactions energy: -707.245
where: short stacking energy: -290.755
Base-Backbone interact. energy: -0.769
local terms energy: -312.711907
where:
bonds (distance) C4'-P energy: -59.318
bonds (distance) P-C4' energy: -61.612
flat angles C4'-P-C4' energy: -70.407
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -71.778
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1182.919373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.919373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.719373 (E_RNA)
where:
Base-Base interactions energy: -675.434
where: short stacking energy: -283.121
Base-Backbone interact. energy: -1.309
local terms energy: -300.976607
where:
bonds (distance) C4'-P energy: -62.241
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -70.074
flat angles P-C4'-P energy: -51.015
tors. eta vs tors. theta energy: -66.033
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1158.180339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.180339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.380339 (E_RNA)
where:
Base-Base interactions energy: -658.018
where: short stacking energy: -265.084
Base-Backbone interact. energy: -2.169
local terms energy: -289.193545
where:
bonds (distance) C4'-P energy: -57.534
bonds (distance) P-C4' energy: -64.484
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -67.077
Dist. restrs. and SS energy: -208.800 (S_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: 249
Temperature: 1.300000
Total energy: -1082.996494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.996494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.396494 (E_RNA)
where:
Base-Base interactions energy: -616.892
where: short stacking energy: -246.050
Base-Backbone interact. energy: 3.227
local terms energy: -276.731126
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -58.879
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -64.719
Dist. restrs. and SS energy: -192.600 (S_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: 249
Temperature: 1.350000
Total energy: -1005.994646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.994646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.794646 (E_RNA)
where:
Base-Base interactions energy: -568.935
where: short stacking energy: -219.006
Base-Backbone interact. energy: 0.058
local terms energy: -249.917948
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -54.886
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1465.002869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.002869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.202869 (E_RNA)
where:
Base-Base interactions energy: -884.502
where: short stacking energy: -336.405
Base-Backbone interact. energy: -2.360
local terms energy: -369.341130
where:
bonds (distance) C4'-P energy: -73.961
bonds (distance) P-C4' energy: -73.648
flat angles C4'-P-C4' energy: -87.353
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -90.848
Dist. restrs. and SS energy: -208.800 (S_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: 250
Temperature: 0.950000
Total energy: -1417.458041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.458041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.658041 (E_RNA)
where:
Base-Base interactions energy: -847.323
where: short stacking energy: -346.322
Base-Backbone interact. energy: -5.230
local terms energy: -356.104723
where:
bonds (distance) C4'-P energy: -69.610
bonds (distance) P-C4' energy: -68.258
flat angles C4'-P-C4' energy: -76.740
flat angles P-C4'-P energy: -46.999
tors. eta vs tors. theta energy: -94.499
Dist. restrs. and SS energy: -208.800 (S_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: -1404.836709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.836709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.036709 (E_RNA)
where:
Base-Base interactions energy: -854.328
where: short stacking energy: -339.326
Base-Backbone interact. energy: 2.466
local terms energy: -353.175330
where:
bonds (distance) C4'-P energy: -60.347
bonds (distance) P-C4' energy: -68.033
flat angles C4'-P-C4' energy: -79.616
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -94.813
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1365.426364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.426364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.426364 (E_RNA)
where:
Base-Base interactions energy: -822.246
where: short stacking energy: -321.354
Base-Backbone interact. energy: -2.402
local terms energy: -342.778335
where:
bonds (distance) C4'-P energy: -62.854
bonds (distance) P-C4' energy: -64.414
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -52.358
tors. eta vs tors. theta energy: -84.307
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1242.542607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.542607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.742607 (E_RNA)
where:
Base-Base interactions energy: -704.501
where: short stacking energy: -294.090
Base-Backbone interact. energy: -3.434
local terms energy: -325.806721
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -69.967
flat angles C4'-P-C4' energy: -77.311
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -80.463
Dist. restrs. and SS energy: -208.800 (S_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: -1229.931704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.931704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.331704 (E_RNA)
where:
Base-Base interactions energy: -719.264
where: short stacking energy: -288.556
Base-Backbone interact. energy: 3.512
local terms energy: -321.580325
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -68.765
flat angles C4'-P-C4' energy: -65.857
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -74.183
Dist. restrs. and SS energy: -192.600 (S_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: 250
Temperature: 1.200000
Total energy: -1180.248070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.248070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.448070 (E_RNA)
where:
Base-Base interactions energy: -661.208
where: short stacking energy: -261.599
Base-Backbone interact. energy: -2.965
local terms energy: -307.274716
where:
bonds (distance) C4'-P energy: -62.353
bonds (distance) P-C4' energy: -63.030
flat angles C4'-P-C4' energy: -67.925
flat angles P-C4'-P energy: -44.136
tors. eta vs tors. theta energy: -69.831
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1157.529105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.529105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.729105 (E_RNA)
where:
Base-Base interactions energy: -674.699
where: short stacking energy: -283.362
Base-Backbone interact. energy: -1.146
local terms energy: -281.883336
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -56.443
flat angles C4'-P-C4' energy: -67.039
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -68.149
Dist. restrs. and SS energy: -199.800 (S_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: 250
Temperature: 1.300000
Total energy: -1142.072355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.072355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.272355 (E_RNA)
where:
Base-Base interactions energy: -663.348
where: short stacking energy: -268.537
Base-Backbone interact. energy: 2.393
local terms energy: -272.317690
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -63.359
flat angles C4'-P-C4' energy: -70.379
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -59.238
Dist. restrs. and SS energy: -208.800 (S_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: -1001.112297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.112297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.512297 (E_RNA)
where:
Base-Base interactions energy: -573.296
where: short stacking energy: -230.485
Base-Backbone interact. energy: -1.522
local terms energy: -242.693923
where:
bonds (distance) C4'-P energy: -57.203
bonds (distance) P-C4' energy: -39.154
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -35.680
tors. eta vs tors. theta energy: -51.449
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1487.741681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.741681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.941681 (E_RNA)
where:
Base-Base interactions energy: -903.392
where: short stacking energy: -345.611
Base-Backbone interact. energy: 0.593
local terms energy: -376.142107
where:
bonds (distance) C4'-P energy: -75.041
bonds (distance) P-C4' energy: -74.309
flat angles C4'-P-C4' energy: -79.757
flat angles P-C4'-P energy: -55.674
tors. eta vs tors. theta energy: -91.361
Dist. restrs. and SS energy: -208.800 (S_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: 251
Temperature: 0.950000
Total energy: -1441.308810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.308810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.508810 (E_RNA)
where:
Base-Base interactions energy: -855.752
where: short stacking energy: -339.522
Base-Backbone interact. energy: -2.344
local terms energy: -374.412601
where:
bonds (distance) C4'-P energy: -71.399
bonds (distance) P-C4' energy: -63.732
flat angles C4'-P-C4' energy: -87.822
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -95.808
Dist. restrs. and SS energy: -208.800 (S_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: 251
Temperature: 1.000000
Total energy: -1386.012538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.012538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.812538 (E_RNA)
where:
Base-Base interactions energy: -833.608
where: short stacking energy: -350.475
Base-Backbone interact. energy: -2.153
local terms energy: -345.051209
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -69.672
flat angles C4'-P-C4' energy: -68.920
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -89.121
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1341.149533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.149533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.149533 (E_RNA)
where:
Base-Base interactions energy: -788.863
where: short stacking energy: -302.992
Base-Backbone interact. energy: -0.946
local terms energy: -353.340083
where:
bonds (distance) C4'-P energy: -74.992
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -56.295
tors. eta vs tors. theta energy: -79.944
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1250.441532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.441532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.841532 (E_RNA)
where:
Base-Base interactions energy: -721.945
where: short stacking energy: -296.505
Base-Backbone interact. energy: -2.201
local terms energy: -324.695236
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -69.283
flat angles C4'-P-C4' energy: -80.627
flat angles P-C4'-P energy: -48.087
tors. eta vs tors. theta energy: -80.208
Dist. restrs. and SS energy: -201.600 (S_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: 251
Temperature: 1.150000
Total energy: -1245.153893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.153893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.953893 (E_RNA)
where:
Base-Base interactions energy: -718.515
where: short stacking energy: -291.245
Base-Backbone interact. energy: -0.035
local terms energy: -330.403540
where:
bonds (distance) C4'-P energy: -58.871
bonds (distance) P-C4' energy: -74.522
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -48.181
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: -196.200 (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: 251
Temperature: 1.200000
Total energy: -1179.840895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.840895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.440895 (E_RNA)
where:
Base-Base interactions energy: -687.892
where: short stacking energy: -276.631
Base-Backbone interact. energy: -2.006
local terms energy: -286.542833
where:
bonds (distance) C4'-P energy: -60.322
bonds (distance) P-C4' energy: -53.190
flat angles C4'-P-C4' energy: -72.715
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -60.794
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1138.660056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.660056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.260056 (E_RNA)
where:
Base-Base interactions energy: -649.991
where: short stacking energy: -240.048
Base-Backbone interact. energy: -0.083
local terms energy: -276.186100
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -58.152
flat angles C4'-P-C4' energy: -71.034
flat angles P-C4'-P energy: -43.008
tors. eta vs tors. theta energy: -52.421
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1119.740696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.740696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.740696 (E_RNA)
where:
Base-Base interactions energy: -631.028
where: short stacking energy: -242.158
Base-Backbone interact. energy: -2.560
local terms energy: -279.152076
where:
bonds (distance) C4'-P energy: -52.027
bonds (distance) P-C4' energy: -61.931
flat angles C4'-P-C4' energy: -57.546
flat angles P-C4'-P energy: -45.525
tors. eta vs tors. theta energy: -62.124
Dist. restrs. and SS energy: -207.000 (S_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: -1027.994128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.994128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.194128 (E_RNA)
where:
Base-Base interactions energy: -569.449
where: short stacking energy: -225.562
Base-Backbone interact. energy: -0.642
local terms energy: -267.102740
where:
bonds (distance) C4'-P energy: -60.335
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -68.733
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: -57.002
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1471.207989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.207989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.207989 (E_RNA)
where:
Base-Base interactions energy: -876.048
where: short stacking energy: -330.635
Base-Backbone interact. energy: -2.019
local terms energy: -386.140750
where:
bonds (distance) C4'-P energy: -70.661
bonds (distance) P-C4' energy: -79.169
flat angles C4'-P-C4' energy: -82.428
flat angles P-C4'-P energy: -59.061
tors. eta vs tors. theta energy: -94.821
Dist. restrs. and SS energy: -207.000 (S_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: 252
Temperature: 0.950000
Total energy: -1433.532586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.532586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.932586 (E_RNA)
where:
Base-Base interactions energy: -870.378
where: short stacking energy: -346.824
Base-Backbone interact. energy: -0.819
local terms energy: -360.735493
where:
bonds (distance) C4'-P energy: -67.407
bonds (distance) P-C4' energy: -59.786
flat angles C4'-P-C4' energy: -81.073
flat angles P-C4'-P energy: -54.759
tors. eta vs tors. theta energy: -97.710
Dist. restrs. and SS energy: -201.600 (S_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: -1376.692429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.692429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.092429 (E_RNA)
where:
Base-Base interactions energy: -835.613
where: short stacking energy: -334.150
Base-Backbone interact. energy: -3.124
local terms energy: -327.355180
where:
bonds (distance) C4'-P energy: -58.725
bonds (distance) P-C4' energy: -71.407
flat angles C4'-P-C4' energy: -70.382
flat angles P-C4'-P energy: -50.791
tors. eta vs tors. theta energy: -76.050
Dist. restrs. and SS energy: -210.600 (S_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: 252
Temperature: 1.050000
Total energy: -1358.603131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.603131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.603131 (E_RNA)
where:
Base-Base interactions energy: -820.736
where: short stacking energy: -301.155
Base-Backbone interact. energy: 2.332
local terms energy: -342.199735
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -67.374
flat angles C4'-P-C4' energy: -73.247
flat angles P-C4'-P energy: -45.417
tors. eta vs tors. theta energy: -83.634
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1243.191437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.191437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.391437 (E_RNA)
where:
Base-Base interactions energy: -698.523
where: short stacking energy: -307.093
Base-Backbone interact. energy: -1.046
local terms energy: -334.822277
where:
bonds (distance) C4'-P energy: -64.002
bonds (distance) P-C4' energy: -74.159
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -50.748
tors. eta vs tors. theta energy: -80.006
Dist. restrs. and SS energy: -208.800 (S_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: 252
Temperature: 1.150000
Total energy: -1224.767323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.767323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.367323 (E_RNA)
where:
Base-Base interactions energy: -727.879
where: short stacking energy: -308.478
Base-Backbone interact. energy: -1.573
local terms energy: -300.915064
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -65.867
flat angles P-C4'-P energy: -50.963
tors. eta vs tors. theta energy: -69.146
Dist. restrs. and SS energy: -194.400 (S_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: 252
Temperature: 1.200000
Total energy: -1185.062231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.062231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.662231 (E_RNA)
where:
Base-Base interactions energy: -677.668
where: short stacking energy: -286.849
Base-Backbone interact. energy: -1.471
local terms energy: -293.523549
where:
bonds (distance) C4'-P energy: -65.941
bonds (distance) P-C4' energy: -53.077
flat angles C4'-P-C4' energy: -65.435
flat angles P-C4'-P energy: -36.745
tors. eta vs tors. theta energy: -72.326
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1134.554034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.554034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.554034 (E_RNA)
where:
Base-Base interactions energy: -639.799
where: short stacking energy: -257.075
Base-Backbone interact. energy: 3.191
local terms energy: -290.946346
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -36.308
tors. eta vs tors. theta energy: -61.491
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1128.617027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.617027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.417027 (E_RNA)
where:
Base-Base interactions energy: -664.879
where: short stacking energy: -266.440
Base-Backbone interact. energy: 1.892
local terms energy: -278.430082
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -61.631
flat angles C4'-P-C4' energy: -61.117
flat angles P-C4'-P energy: -36.158
tors. eta vs tors. theta energy: -62.963
Dist. restrs. and SS energy: -187.200 (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: 252
Temperature: 1.350000
Total energy: -993.524962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.524962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.524962 (E_RNA)
where:
Base-Base interactions energy: -536.091
where: short stacking energy: -217.267
Base-Backbone interact. energy: -2.247
local terms energy: -275.187526
where:
bonds (distance) C4'-P energy: -54.360
bonds (distance) P-C4' energy: -74.167
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1478.070171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.070171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.870171 (E_RNA)
where:
Base-Base interactions energy: -895.263
where: short stacking energy: -338.524
Base-Backbone interact. energy: -2.446
local terms energy: -375.160960
where:
bonds (distance) C4'-P energy: -74.196
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -77.642
flat angles P-C4'-P energy: -55.184
tors. eta vs tors. theta energy: -90.194
Dist. restrs. and SS energy: -205.200 (S_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: 253
Temperature: 0.950000
Total energy: -1455.533876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.533876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.533876 (E_RNA)
where:
Base-Base interactions energy: -868.141
where: short stacking energy: -345.910
Base-Backbone interact. energy: -2.027
local terms energy: -378.365763
where:
bonds (distance) C4'-P energy: -70.165
bonds (distance) P-C4' energy: -82.035
flat angles C4'-P-C4' energy: -71.315
flat angles P-C4'-P energy: -60.571
tors. eta vs tors. theta energy: -94.281
Dist. restrs. and SS energy: -207.000 (S_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: -1367.267156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.267156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.267156 (E_RNA)
where:
Base-Base interactions energy: -816.602
where: short stacking energy: -335.638
Base-Backbone interact. energy: -1.821
local terms energy: -341.843869
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -69.333
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -57.775
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: -207.000 (S_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: 253
Temperature: 1.050000
Total energy: -1374.425605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.425605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.625605 (E_RNA)
where:
Base-Base interactions energy: -832.393
where: short stacking energy: -320.752
Base-Backbone interact. energy: 1.712
local terms energy: -343.945206
where:
bonds (distance) C4'-P energy: -65.750
bonds (distance) P-C4' energy: -69.207
flat angles C4'-P-C4' energy: -62.421
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -97.634
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1249.176593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.176593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.176593 (E_RNA)
where:
Base-Base interactions energy: -705.474
where: short stacking energy: -305.492
Base-Backbone interact. energy: -1.324
local terms energy: -335.378922
where:
bonds (distance) C4'-P energy: -51.120
bonds (distance) P-C4' energy: -71.722
flat angles C4'-P-C4' energy: -81.535
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -83.918
Dist. restrs. and SS energy: -207.000 (S_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: 253
Temperature: 1.150000
Total energy: -1246.475672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.475672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.475672 (E_RNA)
where:
Base-Base interactions energy: -747.251
where: short stacking energy: -310.877
Base-Backbone interact. energy: -1.002
local terms energy: -300.223082
where:
bonds (distance) C4'-P energy: -58.183
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -37.259
tors. eta vs tors. theta energy: -72.963
Dist. restrs. and SS energy: -198.000 (S_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: 253
Temperature: 1.200000
Total energy: -1198.081161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.081161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.481161 (E_RNA)
where:
Base-Base interactions energy: -683.357
where: short stacking energy: -272.172
Base-Backbone interact. energy: -0.171
local terms energy: -312.953372
where:
bonds (distance) C4'-P energy: -80.146
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -61.835
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1170.144565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.144565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.544565 (E_RNA)
where:
Base-Base interactions energy: -674.629
where: short stacking energy: -268.666
Base-Backbone interact. energy: -2.100
local terms energy: -282.815625
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -61.716
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -66.011
Dist. restrs. and SS energy: -210.600 (S_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: 253
Temperature: 1.300000
Total energy: -1135.180449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.180449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.780449 (E_RNA)
where:
Base-Base interactions energy: -643.006
where: short stacking energy: -252.965
Base-Backbone interact. energy: -2.151
local terms energy: -286.622895
where:
bonds (distance) C4'-P energy: -63.468
bonds (distance) P-C4' energy: -65.122
flat angles C4'-P-C4' energy: -54.742
flat angles P-C4'-P energy: -42.843
tors. eta vs tors. theta energy: -60.448
Dist. restrs. and SS energy: -203.400 (S_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: -1011.712934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.712934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.712934 (E_RNA)
where:
Base-Base interactions energy: -564.360
where: short stacking energy: -243.713
Base-Backbone interact. energy: 2.524
local terms energy: -260.876150
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -48.859
flat angles C4'-P-C4' energy: -61.112
flat angles P-C4'-P energy: -32.972
tors. eta vs tors. theta energy: -60.325
Dist. restrs. and SS energy: -189.000 (S_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: 254
Temperature: 0.900000
Total energy: -1460.477431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.477431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.277431 (E_RNA)
where:
Base-Base interactions energy: -872.222
where: short stacking energy: -338.449
Base-Backbone interact. energy: -1.921
local terms energy: -381.134432
where:
bonds (distance) C4'-P energy: -77.138
bonds (distance) P-C4' energy: -73.047
flat angles C4'-P-C4' energy: -78.649
flat angles P-C4'-P energy: -56.055
tors. eta vs tors. theta energy: -96.246
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1458.222169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.222169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.422169 (E_RNA)
where:
Base-Base interactions energy: -875.630
where: short stacking energy: -333.823
Base-Backbone interact. energy: -2.860
local terms energy: -370.932287
where:
bonds (distance) C4'-P energy: -64.846
bonds (distance) P-C4' energy: -70.584
flat angles C4'-P-C4' energy: -83.466
flat angles P-C4'-P energy: -53.269
tors. eta vs tors. theta energy: -98.767
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1406.274505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.274505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.274505 (E_RNA)
where:
Base-Base interactions energy: -834.923
where: short stacking energy: -337.410
Base-Backbone interact. energy: 0.099
local terms energy: -373.450198
where:
bonds (distance) C4'-P energy: -70.003
bonds (distance) P-C4' energy: -78.659
flat angles C4'-P-C4' energy: -74.775
flat angles P-C4'-P energy: -62.382
tors. eta vs tors. theta energy: -87.631
Dist. restrs. and SS energy: -198.000 (S_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: -1348.811601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.811601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.011601 (E_RNA)
where:
Base-Base interactions energy: -798.976
where: short stacking energy: -316.765
Base-Backbone interact. energy: 1.573
local terms energy: -342.608722
where:
bonds (distance) C4'-P energy: -72.835
bonds (distance) P-C4' energy: -63.493
flat angles C4'-P-C4' energy: -73.961
flat angles P-C4'-P energy: -54.781
tors. eta vs tors. theta energy: -77.539
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1295.754356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.754356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.754356 (E_RNA)
where:
Base-Base interactions energy: -738.560
where: short stacking energy: -316.682
Base-Backbone interact. energy: -2.894
local terms energy: -347.300900
where:
bonds (distance) C4'-P energy: -53.828
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -77.289
flat angles P-C4'-P energy: -53.433
tors. eta vs tors. theta energy: -92.095
Dist. restrs. and SS energy: -207.000 (S_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: 254
Temperature: 1.150000
Total energy: -1201.376303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.376303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.176303 (E_RNA)
where:
Base-Base interactions energy: -689.928
where: short stacking energy: -267.657
Base-Backbone interact. energy: -0.529
local terms energy: -314.719363
where:
bonds (distance) C4'-P energy: -71.997
bonds (distance) P-C4' energy: -57.910
flat angles C4'-P-C4' energy: -74.265
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: -67.120
Dist. restrs. and SS energy: -196.200 (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: 254
Temperature: 1.200000
Total energy: -1186.498640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.498640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.498640 (E_RNA)
where:
Base-Base interactions energy: -688.349
where: short stacking energy: -270.226
Base-Backbone interact. energy: -5.011
local terms energy: -286.138002
where:
bonds (distance) C4'-P energy: -62.438
bonds (distance) P-C4' energy: -54.106
flat angles C4'-P-C4' energy: -71.582
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -57.672
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1144.712648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.712648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.512648 (E_RNA)
where:
Base-Base interactions energy: -668.779
where: short stacking energy: -264.116
Base-Backbone interact. energy: 2.227
local terms energy: -281.960723
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -60.436
flat angles C4'-P-C4' energy: -70.389
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -65.882
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1070.903639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.903639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.703639 (E_RNA)
where:
Base-Base interactions energy: -594.653
where: short stacking energy: -230.639
Base-Backbone interact. energy: -1.079
local terms energy: -287.971289
where:
bonds (distance) C4'-P energy: -56.460
bonds (distance) P-C4' energy: -60.217
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -66.740
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1140.579031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.579031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.579031 (E_RNA)
where:
Base-Base interactions energy: -631.111
where: short stacking energy: -252.615
Base-Backbone interact. energy: -0.922
local terms energy: -301.546566
where:
bonds (distance) C4'-P energy: -60.709
bonds (distance) P-C4' energy: -73.556
flat angles C4'-P-C4' energy: -65.072
flat angles P-C4'-P energy: -38.358
tors. eta vs tors. theta energy: -63.853
Dist. restrs. and SS energy: -207.000 (S_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: 255
Temperature: 0.900000
Total energy: -1476.249959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.249959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.449959 (E_RNA)
where:
Base-Base interactions energy: -905.011
where: short stacking energy: -363.347
Base-Backbone interact. energy: -1.529
local terms energy: -360.909925
where:
bonds (distance) C4'-P energy: -67.264
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -79.555
flat angles P-C4'-P energy: -57.898
tors. eta vs tors. theta energy: -93.110
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1448.623750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.623750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.423750 (E_RNA)
where:
Base-Base interactions energy: -863.401
where: short stacking energy: -350.277
Base-Backbone interact. energy: -2.309
local terms energy: -377.713769
where:
bonds (distance) C4'-P energy: -68.872
bonds (distance) P-C4' energy: -77.420
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -59.093
tors. eta vs tors. theta energy: -90.285
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1407.323385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.323385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.723385 (E_RNA)
where:
Base-Base interactions energy: -847.166
where: short stacking energy: -344.040
Base-Backbone interact. energy: 0.498
local terms energy: -359.055348
where:
bonds (distance) C4'-P energy: -64.056
bonds (distance) P-C4' energy: -77.225
flat angles C4'-P-C4' energy: -70.842
flat angles P-C4'-P energy: -55.545
tors. eta vs tors. theta energy: -91.388
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1314.268400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.268400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.268400 (E_RNA)
where:
Base-Base interactions energy: -763.729
where: short stacking energy: -310.717
Base-Backbone interact. energy: -1.271
local terms energy: -342.268045
where:
bonds (distance) C4'-P energy: -70.598
bonds (distance) P-C4' energy: -65.845
flat angles C4'-P-C4' energy: -69.162
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -84.543
Dist. restrs. and SS energy: -207.000 (S_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: -1324.748181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.748181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.348181 (E_RNA)
where:
Base-Base interactions energy: -777.985
where: short stacking energy: -295.912
Base-Backbone interact. energy: -2.221
local terms energy: -332.142025
where:
bonds (distance) C4'-P energy: -61.819
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -78.071
flat angles P-C4'-P energy: -51.647
tors. eta vs tors. theta energy: -79.550
Dist. restrs. and SS energy: -212.400 (S_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: -1226.609401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.609401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.209401 (E_RNA)
where:
Base-Base interactions energy: -719.331
where: short stacking energy: -290.304
Base-Backbone interact. energy: -2.204
local terms energy: -310.674675
where:
bonds (distance) C4'-P energy: -59.146
bonds (distance) P-C4' energy: -64.291
flat angles C4'-P-C4' energy: -74.962
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -66.601
Dist. restrs. and SS energy: -194.400 (S_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: 255
Temperature: 1.200000
Total energy: -1205.395409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.395409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.195409 (E_RNA)
where:
Base-Base interactions energy: -698.856
where: short stacking energy: -277.831
Base-Backbone interact. energy: -1.120
local terms energy: -300.218562
where:
bonds (distance) C4'-P energy: -55.858
bonds (distance) P-C4' energy: -65.701
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -68.893
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1103.281198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.281198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.281198 (E_RNA)
where:
Base-Base interactions energy: -631.819
where: short stacking energy: -250.095
Base-Backbone interact. energy: 2.542
local terms energy: -276.005045
where:
bonds (distance) C4'-P energy: -60.466
bonds (distance) P-C4' energy: -66.294
flat angles C4'-P-C4' energy: -57.635
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -54.771
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1091.857474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.857474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.657474 (E_RNA)
where:
Base-Base interactions energy: -624.323
where: short stacking energy: -249.119
Base-Backbone interact. energy: 3.102
local terms energy: -265.435683
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -65.860
flat angles C4'-P-C4' energy: -70.697
flat angles P-C4'-P energy: -26.713
tors. eta vs tors. theta energy: -54.184
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1082.034827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.034827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.034827 (E_RNA)
where:
Base-Base interactions energy: -607.171
where: short stacking energy: -215.433
Base-Backbone interact. energy: -3.598
local terms energy: -264.265105
where:
bonds (distance) C4'-P energy: -56.806
bonds (distance) P-C4' energy: -53.952
flat angles C4'-P-C4' energy: -70.196
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -50.193
Dist. restrs. and SS energy: -207.000 (S_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: 256
Temperature: 0.900000
Total energy: -1489.736857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.736857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.936857 (E_RNA)
where:
Base-Base interactions energy: -895.380
where: short stacking energy: -357.252
Base-Backbone interact. energy: -1.567
local terms energy: -383.989651
where:
bonds (distance) C4'-P energy: -73.841
bonds (distance) P-C4' energy: -80.490
flat angles C4'-P-C4' energy: -85.550
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -94.474
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1434.942426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.942426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.142426 (E_RNA)
where:
Base-Base interactions energy: -863.718
where: short stacking energy: -333.256
Base-Backbone interact. energy: -2.671
local terms energy: -359.753273
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -69.503
flat angles C4'-P-C4' energy: -78.904
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -95.898
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1398.150955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.150955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.150955 (E_RNA)
where:
Base-Base interactions energy: -859.472
where: short stacking energy: -327.154
Base-Backbone interact. energy: -3.663
local terms energy: -337.016446
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -72.122
flat angles C4'-P-C4' energy: -70.157
flat angles P-C4'-P energy: -51.605
tors. eta vs tors. theta energy: -92.283
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1304.529627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.529627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.329627 (E_RNA)
where:
Base-Base interactions energy: -743.386
where: short stacking energy: -302.770
Base-Backbone interact. energy: -1.886
local terms energy: -354.057532
where:
bonds (distance) C4'-P energy: -65.769
bonds (distance) P-C4' energy: -69.181
flat angles C4'-P-C4' energy: -79.986
flat angles P-C4'-P energy: -50.436
tors. eta vs tors. theta energy: -88.686
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1326.315871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.315871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.115871 (E_RNA)
where:
Base-Base interactions energy: -766.737
where: short stacking energy: -313.994
Base-Backbone interact. energy: -0.525
local terms energy: -344.853174
where:
bonds (distance) C4'-P energy: -63.333
bonds (distance) P-C4' energy: -70.492
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -57.509
tors. eta vs tors. theta energy: -78.855
Dist. restrs. and SS energy: -214.200 (S_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: -1230.185230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.185230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.985230 (E_RNA)
where:
Base-Base interactions energy: -700.215
where: short stacking energy: -299.638
Base-Backbone interact. energy: 1.231
local terms energy: -335.000816
where:
bonds (distance) C4'-P energy: -65.660
bonds (distance) P-C4' energy: -70.735
flat angles C4'-P-C4' energy: -71.091
flat angles P-C4'-P energy: -44.630
tors. eta vs tors. theta energy: -82.884
Dist. restrs. and SS energy: -196.200 (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: 256
Temperature: 1.200000
Total energy: -1236.973732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.973732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.573732 (E_RNA)
where:
Base-Base interactions energy: -702.307
where: short stacking energy: -260.868
Base-Backbone interact. energy: -3.828
local terms energy: -318.438607
where:
bonds (distance) C4'-P energy: -70.228
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -74.001
flat angles P-C4'-P energy: -39.122
tors. eta vs tors. theta energy: -69.444
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1104.252415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.252415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.052415 (E_RNA)
where:
Base-Base interactions energy: -634.158
where: short stacking energy: -262.055
Base-Backbone interact. energy: -1.709
local terms energy: -281.186296
where:
bonds (distance) C4'-P energy: -57.874
bonds (distance) P-C4' energy: -52.919
flat angles C4'-P-C4' energy: -64.587
flat angles P-C4'-P energy: -46.054
tors. eta vs tors. theta energy: -59.753
Dist. restrs. and SS energy: -187.200 (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: 256
Temperature: 1.300000
Total energy: -1103.618671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.618671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.218671 (E_RNA)
where:
Base-Base interactions energy: -615.034
where: short stacking energy: -249.663
Base-Backbone interact. energy: -1.762
local terms energy: -283.421784
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -57.673
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -60.561
Dist. restrs. and SS energy: -203.400 (S_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: 256
Temperature: 1.350000
Total energy: -1103.891813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.891813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.691813 (E_RNA)
where:
Base-Base interactions energy: -601.473
where: short stacking energy: -235.328
Base-Backbone interact. energy: -1.836
local terms energy: -295.382395
where:
bonds (distance) C4'-P energy: -62.136
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -63.780
flat angles P-C4'-P energy: -48.838
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: -205.200 (S_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: 257
Temperature: 0.900000
Total energy: -1448.694257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.694257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.694257 (E_RNA)
where:
Base-Base interactions energy: -868.057
where: short stacking energy: -340.881
Base-Backbone interact. energy: -1.858
local terms energy: -371.779109
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -77.269
flat angles C4'-P-C4' energy: -78.060
flat angles P-C4'-P energy: -61.385
tors. eta vs tors. theta energy: -87.352
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1431.985443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.985443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.185443 (E_RNA)
where:
Base-Base interactions energy: -882.003
where: short stacking energy: -334.593
Base-Backbone interact. energy: -2.443
local terms energy: -347.739556
where:
bonds (distance) C4'-P energy: -70.826
bonds (distance) P-C4' energy: -61.411
flat angles C4'-P-C4' energy: -76.566
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -86.812
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1415.678439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.678439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.678439 (E_RNA)
where:
Base-Base interactions energy: -859.242
where: short stacking energy: -327.073
Base-Backbone interact. energy: -0.110
local terms energy: -349.326710
where:
bonds (distance) C4'-P energy: -65.861
bonds (distance) P-C4' energy: -64.673
flat angles C4'-P-C4' energy: -74.887
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -93.624
Dist. restrs. and SS energy: -207.000 (S_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: 257
Temperature: 1.050000
Total energy: -1391.680126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.680126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.480126 (E_RNA)
where:
Base-Base interactions energy: -826.610
where: short stacking energy: -316.659
Base-Backbone interact. energy: -1.076
local terms energy: -349.794423
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -70.452
flat angles C4'-P-C4' energy: -74.413
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: -73.223
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1281.514475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.514475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.314475 (E_RNA)
where:
Base-Base interactions energy: -731.583
where: short stacking energy: -305.756
Base-Backbone interact. energy: 4.304
local terms energy: -349.035676
where:
bonds (distance) C4'-P energy: -66.534
bonds (distance) P-C4' energy: -65.675
flat angles C4'-P-C4' energy: -78.782
flat angles P-C4'-P energy: -46.869
tors. eta vs tors. theta energy: -91.175
Dist. restrs. and SS energy: -205.200 (S_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: 257
Temperature: 1.150000
Total energy: -1245.169125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.169125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.369125 (E_RNA)
where:
Base-Base interactions energy: -712.309
where: short stacking energy: -268.520
Base-Backbone interact. energy: -3.136
local terms energy: -311.924630
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -64.495
flat angles C4'-P-C4' energy: -72.549
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -64.752
Dist. restrs. and SS energy: -217.800 (S_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: -1197.376442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.376442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.376442 (E_RNA)
where:
Base-Base interactions energy: -668.165
where: short stacking energy: -275.684
Base-Backbone interact. energy: 1.052
local terms energy: -332.263689
where:
bonds (distance) C4'-P energy: -66.655
bonds (distance) P-C4' energy: -71.275
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -73.305
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1113.809575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.809575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.209575 (E_RNA)
where:
Base-Base interactions energy: -633.544
where: short stacking energy: -267.446
Base-Backbone interact. energy: -2.085
local terms energy: -267.580159
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -61.204
flat angles C4'-P-C4' energy: -71.194
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -51.828
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1093.752652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.752652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.152652 (E_RNA)
where:
Base-Base interactions energy: -626.304
where: short stacking energy: -245.563
Base-Backbone interact. energy: 2.189
local terms energy: -277.038226
where:
bonds (distance) C4'-P energy: -59.463
bonds (distance) P-C4' energy: -57.550
flat angles C4'-P-C4' energy: -73.767
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -52.861
Dist. restrs. and SS energy: -192.600 (S_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: 257
Temperature: 1.350000
Total energy: -1129.613151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.613151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.013151 (E_RNA)
where:
Base-Base interactions energy: -637.499
where: short stacking energy: -264.126
Base-Backbone interact. energy: 5.117
local terms energy: -295.630617
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -66.175
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -63.871
Dist. restrs. and SS energy: -201.600 (S_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: 258
Temperature: 0.900000
Total energy: -1453.310527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.310527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.510527 (E_RNA)
where:
Base-Base interactions energy: -858.081
where: short stacking energy: -354.545
Base-Backbone interact. energy: -4.242
local terms energy: -382.187434
where:
bonds (distance) C4'-P energy: -67.987
bonds (distance) P-C4' energy: -77.477
flat angles C4'-P-C4' energy: -80.403
flat angles P-C4'-P energy: -59.101
tors. eta vs tors. theta energy: -97.219
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1433.313336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.313336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.313336 (E_RNA)
where:
Base-Base interactions energy: -876.722
where: short stacking energy: -346.030
Base-Backbone interact. energy: 1.794
local terms energy: -360.384850
where:
bonds (distance) C4'-P energy: -63.453
bonds (distance) P-C4' energy: -69.767
flat angles C4'-P-C4' energy: -69.865
flat angles P-C4'-P energy: -61.502
tors. eta vs tors. theta energy: -95.798
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1411.212987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.212987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.012987 (E_RNA)
where:
Base-Base interactions energy: -853.094
where: short stacking energy: -340.470
Base-Backbone interact. energy: -2.025
local terms energy: -350.894492
where:
bonds (distance) C4'-P energy: -61.546
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -77.370
flat angles P-C4'-P energy: -52.886
tors. eta vs tors. theta energy: -88.730
Dist. restrs. and SS energy: -205.200 (S_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: 258
Temperature: 1.050000
Total energy: -1351.347259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.347259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.547259 (E_RNA)
where:
Base-Base interactions energy: -797.900
where: short stacking energy: -318.731
Base-Backbone interact. energy: -3.264
local terms energy: -332.382685
where:
bonds (distance) C4'-P energy: -64.056
bonds (distance) P-C4' energy: -70.898
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -74.530
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1274.318069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.318069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.118069 (E_RNA)
where:
Base-Base interactions energy: -734.694
where: short stacking energy: -295.343
Base-Backbone interact. energy: -0.992
local terms energy: -333.432207
where:
bonds (distance) C4'-P energy: -65.548
bonds (distance) P-C4' energy: -69.890
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -53.399
tors. eta vs tors. theta energy: -75.109
Dist. restrs. and SS energy: -205.200 (S_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: 258
Temperature: 1.150000
Total energy: -1209.324363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.324363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.124363 (E_RNA)
where:
Base-Base interactions energy: -689.446
where: short stacking energy: -277.077
Base-Backbone interact. energy: -1.947
local terms energy: -312.731129
where:
bonds (distance) C4'-P energy: -68.384
bonds (distance) P-C4' energy: -60.673
flat angles C4'-P-C4' energy: -64.375
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: -69.475
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1184.097838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.097838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.097838 (E_RNA)
where:
Base-Base interactions energy: -671.316
where: short stacking energy: -275.999
Base-Backbone interact. energy: -1.107
local terms energy: -313.674673
where:
bonds (distance) C4'-P energy: -73.613
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -68.272
flat angles P-C4'-P energy: -54.190
tors. eta vs tors. theta energy: -69.399
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1133.968369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.968369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.568369 (E_RNA)
where:
Base-Base interactions energy: -645.767
where: short stacking energy: -253.420
Base-Backbone interact. energy: 0.366
local terms energy: -276.167149
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -57.200
flat angles C4'-P-C4' energy: -70.269
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -50.274
Dist. restrs. and SS energy: -212.400 (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: 258
Temperature: 1.300000
Total energy: -1134.058081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.058081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.658081 (E_RNA)
where:
Base-Base interactions energy: -656.173
where: short stacking energy: -260.425
Base-Backbone interact. energy: 1.333
local terms energy: -275.818372
where:
bonds (distance) C4'-P energy: -47.332
bonds (distance) P-C4' energy: -69.837
flat angles C4'-P-C4' energy: -63.043
flat angles P-C4'-P energy: -43.153
tors. eta vs tors. theta energy: -52.453
Dist. restrs. and SS energy: -203.400 (S_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: -1060.089703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.089703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.889703 (E_RNA)
where:
Base-Base interactions energy: -593.411
where: short stacking energy: -238.518
Base-Backbone interact. energy: 2.279
local terms energy: -290.758404
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -62.528
flat angles C4'-P-C4' energy: -67.214
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -58.732
Dist. restrs. and SS energy: -178.200 (S_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: 259
Temperature: 0.900000
Total energy: -1452.916813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.916813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.116813 (E_RNA)
where:
Base-Base interactions energy: -851.851
where: short stacking energy: -352.923
Base-Backbone interact. energy: -2.069
local terms energy: -390.197379
where:
bonds (distance) C4'-P energy: -79.460
bonds (distance) P-C4' energy: -72.351
flat angles C4'-P-C4' energy: -81.718
flat angles P-C4'-P energy: -54.193
tors. eta vs tors. theta energy: -102.475
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1429.387747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.387747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.587747 (E_RNA)
where:
Base-Base interactions energy: -881.519
where: short stacking energy: -336.237
Base-Backbone interact. energy: -1.230
local terms energy: -346.838824
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -74.227
flat angles C4'-P-C4' energy: -78.891
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -89.267
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1427.744155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.744155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.544155 (E_RNA)
where:
Base-Base interactions energy: -868.820
where: short stacking energy: -341.240
Base-Backbone interact. energy: -2.338
local terms energy: -351.387001
where:
bonds (distance) C4'-P energy: -71.571
bonds (distance) P-C4' energy: -67.497
flat angles C4'-P-C4' energy: -77.559
flat angles P-C4'-P energy: -39.568
tors. eta vs tors. theta energy: -95.192
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1344.907775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.907775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.907775 (E_RNA)
where:
Base-Base interactions energy: -798.857
where: short stacking energy: -297.150
Base-Backbone interact. energy: 4.172
local terms energy: -334.222390
where:
bonds (distance) C4'-P energy: -70.882
bonds (distance) P-C4' energy: -70.711
flat angles C4'-P-C4' energy: -68.544
flat angles P-C4'-P energy: -56.443
tors. eta vs tors. theta energy: -67.642
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1277.326605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.326605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.926605 (E_RNA)
where:
Base-Base interactions energy: -741.935
where: short stacking energy: -297.945
Base-Backbone interact. energy: -0.839
local terms energy: -331.152831
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -67.988
flat angles C4'-P-C4' energy: -76.600
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -86.485
Dist. restrs. and SS energy: -203.400 (S_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: -1237.757196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.757196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.157196 (E_RNA)
where:
Base-Base interactions energy: -718.874
where: short stacking energy: -291.176
Base-Backbone interact. energy: -1.211
local terms energy: -325.072347
where:
bonds (distance) C4'-P energy: -69.002
bonds (distance) P-C4' energy: -70.779
flat angles C4'-P-C4' energy: -70.901
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -74.656
Dist. restrs. and SS energy: -192.600 (S_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: 259
Temperature: 1.200000
Total energy: -1168.568981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.568981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.368981 (E_RNA)
where:
Base-Base interactions energy: -651.715
where: short stacking energy: -270.618
Base-Backbone interact. energy: 0.797
local terms energy: -312.450545
where:
bonds (distance) C4'-P energy: -70.131
bonds (distance) P-C4' energy: -65.823
flat angles C4'-P-C4' energy: -63.733
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -79.783
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1168.271813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.271813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.271813 (E_RNA)
where:
Base-Base interactions energy: -678.863
where: short stacking energy: -279.801
Base-Backbone interact. energy: -3.473
local terms energy: -278.935684
where:
bonds (distance) C4'-P energy: -64.370
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -68.861
flat angles P-C4'-P energy: -35.973
tors. eta vs tors. theta energy: -58.933
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1130.293019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.293019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.293019 (E_RNA)
where:
Base-Base interactions energy: -643.414
where: short stacking energy: -262.624
Base-Backbone interact. energy: 0.544
local terms energy: -280.423241
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -66.706
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -59.022
Dist. restrs. and SS energy: -207.000 (S_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: -1030.819032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.819032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.419032 (E_RNA)
where:
Base-Base interactions energy: -565.099
where: short stacking energy: -220.820
Base-Backbone interact. energy: -1.164
local terms energy: -288.156282
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -63.660
Dist. restrs. and SS energy: -176.400 (S_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: -1464.417187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.417187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.217187 (E_RNA)
where:
Base-Base interactions energy: -862.658
where: short stacking energy: -375.081
Base-Backbone interact. energy: -1.130
local terms energy: -395.429846
where:
bonds (distance) C4'-P energy: -77.131
bonds (distance) P-C4' energy: -70.664
flat angles C4'-P-C4' energy: -84.373
flat angles P-C4'-P energy: -60.680
tors. eta vs tors. theta energy: -102.581
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1428.405320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.405320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.605320 (E_RNA)
where:
Base-Base interactions energy: -871.059
where: short stacking energy: -328.593
Base-Backbone interact. energy: -2.225
local terms energy: -355.321647
where:
bonds (distance) C4'-P energy: -57.181
bonds (distance) P-C4' energy: -74.923
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -57.022
tors. eta vs tors. theta energy: -90.420
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1396.365992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.365992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.565992 (E_RNA)
where:
Base-Base interactions energy: -849.667
where: short stacking energy: -328.288
Base-Backbone interact. energy: -1.894
local terms energy: -336.005055
where:
bonds (distance) C4'-P energy: -58.066
bonds (distance) P-C4' energy: -63.459
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -94.013
Dist. restrs. and SS energy: -208.800 (S_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: 260
Temperature: 1.050000
Total energy: -1375.637079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.637079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.237079 (E_RNA)
where:
Base-Base interactions energy: -822.690
where: short stacking energy: -316.284
Base-Backbone interact. energy: 6.647
local terms energy: -347.194899
where:
bonds (distance) C4'-P energy: -64.745
bonds (distance) P-C4' energy: -72.782
flat angles C4'-P-C4' energy: -78.761
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -83.138
Dist. restrs. and SS energy: -212.400 (S_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: -1244.811555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.811555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.211555 (E_RNA)
where:
Base-Base interactions energy: -722.590
where: short stacking energy: -299.332
Base-Backbone interact. energy: 2.817
local terms energy: -332.438670
where:
bonds (distance) C4'-P energy: -63.027
bonds (distance) P-C4' energy: -77.482
flat angles C4'-P-C4' energy: -76.938
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: -64.187
Dist. restrs. and SS energy: -192.600 (S_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: 260
Temperature: 1.150000
Total energy: -1239.311303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.311303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.711303 (E_RNA)
where:
Base-Base interactions energy: -727.023
where: short stacking energy: -301.882
Base-Backbone interact. energy: -1.036
local terms energy: -309.652216
where:
bonds (distance) C4'-P energy: -56.905
bonds (distance) P-C4' energy: -62.813
flat angles C4'-P-C4' energy: -74.858
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -83.959
Dist. restrs. and SS energy: -201.600 (S_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: 260
Temperature: 1.200000
Total energy: -1216.139587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.139587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.939587 (E_RNA)
where:
Base-Base interactions energy: -716.301
where: short stacking energy: -297.730
Base-Backbone interact. energy: 3.385
local terms energy: -307.023581
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -75.813
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -64.130
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1146.002542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.002542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.202542 (E_RNA)
where:
Base-Base interactions energy: -654.031
where: short stacking energy: -260.169
Base-Backbone interact. energy: -1.508
local terms energy: -290.664321
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -62.771
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -67.484
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1061.842724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.842724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.842724 (E_RNA)
where:
Base-Base interactions energy: -579.782
where: short stacking energy: -219.659
Base-Backbone interact. energy: -1.383
local terms energy: -300.677985
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -59.921
flat angles C4'-P-C4' energy: -67.522
flat angles P-C4'-P energy: -51.434
tors. eta vs tors. theta energy: -63.007
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1034.301871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.301871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.301871 (E_RNA)
where:
Base-Base interactions energy: -587.164
where: short stacking energy: -237.127
Base-Backbone interact. energy: 1.622
local terms energy: -259.759178
where:
bonds (distance) C4'-P energy: -58.297
bonds (distance) P-C4' energy: -67.145
flat angles C4'-P-C4' energy: -58.478
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -42.563
Dist. restrs. and SS energy: -189.000 (S_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: -1455.986537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.986537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.186537 (E_RNA)
where:
Base-Base interactions energy: -855.165
where: short stacking energy: -355.574
Base-Backbone interact. energy: 1.911
local terms energy: -393.933268
where:
bonds (distance) C4'-P energy: -71.037
bonds (distance) P-C4' energy: -80.780
flat angles C4'-P-C4' energy: -85.045
flat angles P-C4'-P energy: -59.186
tors. eta vs tors. theta energy: -97.886
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1442.871037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.871037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.871037 (E_RNA)
where:
Base-Base interactions energy: -844.407
where: short stacking energy: -344.326
Base-Backbone interact. energy: -2.641
local terms energy: -397.823357
where:
bonds (distance) C4'-P energy: -75.519
bonds (distance) P-C4' energy: -85.625
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: -97.719
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1384.509219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.509219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.309219 (E_RNA)
where:
Base-Base interactions energy: -823.566
where: short stacking energy: -315.115
Base-Backbone interact. energy: -1.011
local terms energy: -354.731909
where:
bonds (distance) C4'-P energy: -76.112
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -74.232
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -82.215
Dist. restrs. and SS energy: -205.200 (S_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: 261
Temperature: 1.050000
Total energy: -1364.717282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.717282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.917282 (E_RNA)
where:
Base-Base interactions energy: -797.175
where: short stacking energy: -316.438
Base-Backbone interact. energy: 1.243
local terms energy: -359.984535
where:
bonds (distance) C4'-P energy: -66.769
bonds (distance) P-C4' energy: -76.012
flat angles C4'-P-C4' energy: -73.356
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -88.908
Dist. restrs. and SS energy: -208.800 (S_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: 261
Temperature: 1.100000
Total energy: -1271.568061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.568061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.968061 (E_RNA)
where:
Base-Base interactions energy: -729.806
where: short stacking energy: -313.234
Base-Backbone interact. energy: -0.418
local terms energy: -339.744158
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -73.562
flat angles P-C4'-P energy: -55.202
tors. eta vs tors. theta energy: -83.976
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1241.169760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.169760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.569760 (E_RNA)
where:
Base-Base interactions energy: -706.607
where: short stacking energy: -276.045
Base-Backbone interact. energy: -4.211
local terms energy: -319.752236
where:
bonds (distance) C4'-P energy: -52.459
bonds (distance) P-C4' energy: -71.355
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -74.348
Dist. restrs. and SS energy: -210.600 (S_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: -1204.553208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.553208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.753208 (E_RNA)
where:
Base-Base interactions energy: -689.121
where: short stacking energy: -300.252
Base-Backbone interact. energy: -3.278
local terms energy: -312.353425
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -60.055
flat angles C4'-P-C4' energy: -73.735
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -82.137
Dist. restrs. and SS energy: -199.800 (S_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: 261
Temperature: 1.250000
Total energy: -1115.714468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.714468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.314468 (E_RNA)
where:
Base-Base interactions energy: -639.747
where: short stacking energy: -246.998
Base-Backbone interact. energy: -2.521
local terms energy: -270.046116
where:
bonds (distance) C4'-P energy: -62.729
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -54.224
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -47.759
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1090.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.555485 (E_RNA)
where:
Base-Base interactions energy: -612.209
where: short stacking energy: -245.153
Base-Backbone interact. energy: -0.455
local terms energy: -284.891765
where:
bonds (distance) C4'-P energy: -65.334
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -66.569
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1108.949811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.949811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.349811 (E_RNA)
where:
Base-Base interactions energy: -635.810
where: short stacking energy: -247.886
Base-Backbone interact. energy: -0.098
local terms energy: -271.441810
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -62.534
flat angles C4'-P-C4' energy: -64.818
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -58.919
Dist. restrs. and SS energy: -201.600 (S_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: 262
Temperature: 0.900000
Total energy: -1447.514709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.514709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.514709 (E_RNA)
where:
Base-Base interactions energy: -854.389
where: short stacking energy: -341.982
Base-Backbone interact. energy: -1.333
local terms energy: -384.792902
where:
bonds (distance) C4'-P energy: -72.723
bonds (distance) P-C4' energy: -75.767
flat angles C4'-P-C4' energy: -87.098
flat angles P-C4'-P energy: -59.907
tors. eta vs tors. theta energy: -89.297
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1422.657926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.657926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.657926 (E_RNA)
where:
Base-Base interactions energy: -865.385
where: short stacking energy: -348.080
Base-Backbone interact. energy: -1.690
local terms energy: -357.583157
where:
bonds (distance) C4'-P energy: -62.282
bonds (distance) P-C4' energy: -65.437
flat angles C4'-P-C4' energy: -77.746
flat angles P-C4'-P energy: -59.342
tors. eta vs tors. theta energy: -92.776
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1393.007885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.007885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.607885 (E_RNA)
where:
Base-Base interactions energy: -825.368
where: short stacking energy: -323.338
Base-Backbone interact. energy: 0.164
local terms energy: -364.403810
where:
bonds (distance) C4'-P energy: -72.607
bonds (distance) P-C4' energy: -77.951
flat angles C4'-P-C4' energy: -80.026
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -87.764
Dist. restrs. and SS energy: -203.400 (S_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: 262
Temperature: 1.050000
Total energy: -1353.662006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.662006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.662006 (E_RNA)
where:
Base-Base interactions energy: -809.735
where: short stacking energy: -321.308
Base-Backbone interact. energy: -2.961
local terms energy: -333.966111
where:
bonds (distance) C4'-P energy: -61.870
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -68.363
flat angles P-C4'-P energy: -59.133
tors. eta vs tors. theta energy: -86.202
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1301.047751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.047751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.447751 (E_RNA)
where:
Base-Base interactions energy: -749.319
where: short stacking energy: -312.299
Base-Backbone interact. energy: 8.722
local terms energy: -340.851239
where:
bonds (distance) C4'-P energy: -64.721
bonds (distance) P-C4' energy: -74.339
flat angles C4'-P-C4' energy: -75.179
flat angles P-C4'-P energy: -48.214
tors. eta vs tors. theta energy: -78.399
Dist. restrs. and SS energy: -219.600 (S_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: 262
Temperature: 1.150000
Total energy: -1213.198857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.198857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.998857 (E_RNA)
where:
Base-Base interactions energy: -722.316
where: short stacking energy: -290.832
Base-Backbone interact. energy: 0.612
local terms energy: -295.295518
where:
bonds (distance) C4'-P energy: -56.976
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -67.752
flat angles P-C4'-P energy: -32.730
tors. eta vs tors. theta energy: -70.506
Dist. restrs. and SS energy: -196.200 (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: 262
Temperature: 1.200000
Total energy: -1221.893251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.893251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.893251 (E_RNA)
where:
Base-Base interactions energy: -704.630
where: short stacking energy: -274.899
Base-Backbone interact. energy: 0.206
local terms energy: -310.469298
where:
bonds (distance) C4'-P energy: -54.263
bonds (distance) P-C4' energy: -76.335
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -62.682
Dist. restrs. and SS energy: -207.000 (S_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: 262
Temperature: 1.250000
Total energy: -1136.819430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.819430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.019430 (E_RNA)
where:
Base-Base interactions energy: -638.300
where: short stacking energy: -268.337
Base-Backbone interact. energy: -1.695
local terms energy: -297.024895
where:
bonds (distance) C4'-P energy: -67.936
bonds (distance) P-C4' energy: -53.576
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -59.793
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1102.234627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.234627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.434627 (E_RNA)
where:
Base-Base interactions energy: -640.689
where: short stacking energy: -235.905
Base-Backbone interact. energy: -0.815
local terms energy: -251.930450
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -61.192
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -44.713
Dist. restrs. and SS energy: -208.800 (S_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: 262
Temperature: 1.350000
Total energy: -1069.612950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.612950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.812950 (E_RNA)
where:
Base-Base interactions energy: -616.470
where: short stacking energy: -260.485
Base-Backbone interact. energy: 1.283
local terms energy: -263.626050
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -52.087
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -56.871
Dist. restrs. and SS energy: -190.800 (S_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: 263
Temperature: 0.900000
Total energy: -1448.025414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.025414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.225414 (E_RNA)
where:
Base-Base interactions energy: -860.863
where: short stacking energy: -357.458
Base-Backbone interact. energy: -0.359
local terms energy: -378.003309
where:
bonds (distance) C4'-P energy: -72.970
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -84.415
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -96.010
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1424.290732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.290732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.690732 (E_RNA)
where:
Base-Base interactions energy: -848.092
where: short stacking energy: -345.538
Base-Backbone interact. energy: -4.243
local terms energy: -370.355698
where:
bonds (distance) C4'-P energy: -72.129
bonds (distance) P-C4' energy: -66.994
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -54.507
tors. eta vs tors. theta energy: -101.785
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1382.912749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.912749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.112749 (E_RNA)
where:
Base-Base interactions energy: -806.898
where: short stacking energy: -323.140
Base-Backbone interact. energy: -1.039
local terms energy: -366.174810
where:
bonds (distance) C4'-P energy: -77.096
bonds (distance) P-C4' energy: -77.975
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -48.189
tors. eta vs tors. theta energy: -88.856
Dist. restrs. and SS energy: -208.800 (S_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: 263
Temperature: 1.050000
Total energy: -1349.134215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.134215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.934215 (E_RNA)
where:
Base-Base interactions energy: -791.645
where: short stacking energy: -304.400
Base-Backbone interact. energy: -2.950
local terms energy: -340.339285
where:
bonds (distance) C4'-P energy: -63.753
bonds (distance) P-C4' energy: -65.199
flat angles C4'-P-C4' energy: -78.905
flat angles P-C4'-P energy: -47.730
tors. eta vs tors. theta energy: -84.752
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1291.782908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.782908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.782908 (E_RNA)
where:
Base-Base interactions energy: -748.726
where: short stacking energy: -317.141
Base-Backbone interact. energy: -1.807
local terms energy: -325.250315
where:
bonds (distance) C4'-P energy: -60.879
bonds (distance) P-C4' energy: -55.878
flat angles C4'-P-C4' energy: -80.779
flat angles P-C4'-P energy: -49.216
tors. eta vs tors. theta energy: -78.498
Dist. restrs. and SS energy: -216.000 (S_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: 263
Temperature: 1.150000
Total energy: -1187.283533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.283533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.283533 (E_RNA)
where:
Base-Base interactions energy: -677.535
where: short stacking energy: -276.827
Base-Backbone interact. energy: -2.170
local terms energy: -309.578551
where:
bonds (distance) C4'-P energy: -60.158
bonds (distance) P-C4' energy: -68.465
flat angles C4'-P-C4' energy: -73.594
flat angles P-C4'-P energy: -44.247
tors. eta vs tors. theta energy: -63.115
Dist. restrs. and SS energy: -198.000 (S_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: -1188.450628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.450628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.050628 (E_RNA)
where:
Base-Base interactions energy: -691.452
where: short stacking energy: -272.496
Base-Backbone interact. energy: -0.756
local terms energy: -292.843072
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -68.914
flat angles C4'-P-C4' energy: -57.743
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -68.527
Dist. restrs. and SS energy: -203.400 (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: 263
Temperature: 1.250000
Total energy: -1146.574582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.574582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.974582 (E_RNA)
where:
Base-Base interactions energy: -640.928
where: short stacking energy: -271.582
Base-Backbone interact. energy: 0.032
local terms energy: -304.079287
where:
bonds (distance) C4'-P energy: -59.760
bonds (distance) P-C4' energy: -59.712
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1120.598532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.598532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.998532 (E_RNA)
where:
Base-Base interactions energy: -643.180
where: short stacking energy: -263.106
Base-Backbone interact. energy: 0.643
local terms energy: -285.460953
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -59.464
flat angles C4'-P-C4' energy: -59.537
flat angles P-C4'-P energy: -49.656
tors. eta vs tors. theta energy: -61.006
Dist. restrs. and SS energy: -192.600 (S_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: 263
Temperature: 1.350000
Total energy: -1008.563527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.563527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.363527 (E_RNA)
where:
Base-Base interactions energy: -561.871
where: short stacking energy: -243.930
Base-Backbone interact. energy: -1.963
local terms energy: -257.529425
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -54.863
flat angles C4'-P-C4' energy: -52.564
flat angles P-C4'-P energy: -30.796
tors. eta vs tors. theta energy: -57.940
Dist. restrs. and SS energy: -187.200 (S_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: 264
Temperature: 0.900000
Total energy: -1451.580661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.580661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.580661 (E_RNA)
where:
Base-Base interactions energy: -863.180
where: short stacking energy: -357.616
Base-Backbone interact. energy: 0.144
local terms energy: -381.545404
where:
bonds (distance) C4'-P energy: -70.241
bonds (distance) P-C4' energy: -74.223
flat angles C4'-P-C4' energy: -81.217
flat angles P-C4'-P energy: -54.901
tors. eta vs tors. theta energy: -100.964
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1427.253073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.253073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.453073 (E_RNA)
where:
Base-Base interactions energy: -863.990
where: short stacking energy: -338.102
Base-Backbone interact. energy: -3.022
local terms energy: -360.441713
where:
bonds (distance) C4'-P energy: -69.633
bonds (distance) P-C4' energy: -69.348
flat angles C4'-P-C4' energy: -85.530
flat angles P-C4'-P energy: -48.174
tors. eta vs tors. theta energy: -87.758
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1364.001042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.001042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.601042 (E_RNA)
where:
Base-Base interactions energy: -803.245
where: short stacking energy: -313.000
Base-Backbone interact. energy: 0.184
local terms energy: -348.540161
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -73.906
flat angles C4'-P-C4' energy: -72.424
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: -82.841
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1327.561290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.561290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.361290 (E_RNA)
where:
Base-Base interactions energy: -781.021
where: short stacking energy: -321.767
Base-Backbone interact. energy: -0.236
local terms energy: -350.103734
where:
bonds (distance) C4'-P energy: -66.213
bonds (distance) P-C4' energy: -83.524
flat angles C4'-P-C4' energy: -69.219
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -74.873
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1250.834350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.834350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.834350 (E_RNA)
where:
Base-Base interactions energy: -711.281
where: short stacking energy: -283.851
Base-Backbone interact. energy: 0.560
local terms energy: -342.113239
where:
bonds (distance) C4'-P energy: -63.290
bonds (distance) P-C4' energy: -73.442
flat angles C4'-P-C4' energy: -75.177
flat angles P-C4'-P energy: -55.725
tors. eta vs tors. theta energy: -74.480
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1229.591255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.591255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.391255 (E_RNA)
where:
Base-Base interactions energy: -698.211
where: short stacking energy: -267.529
Base-Backbone interact. energy: 0.368
local terms energy: -308.548349
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -62.109
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: -64.270
Dist. restrs. and SS energy: -223.200 (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: 264
Temperature: 1.200000
Total energy: -1206.893435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.893435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.693435 (E_RNA)
where:
Base-Base interactions energy: -691.589
where: short stacking energy: -282.538
Base-Backbone interact. energy: -0.161
local terms energy: -309.943356
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -57.051
flat angles C4'-P-C4' energy: -71.015
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -67.161
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1168.384099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.384099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.384099 (E_RNA)
where:
Base-Base interactions energy: -667.735
where: short stacking energy: -279.284
Base-Backbone interact. energy: -0.497
local terms energy: -302.151681
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -69.368
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: -68.290
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1057.163428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.163428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.363428 (E_RNA)
where:
Base-Base interactions energy: -588.021
where: short stacking energy: -233.674
Base-Backbone interact. energy: 3.382
local terms energy: -272.724311
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -71.581
flat angles C4'-P-C4' energy: -60.480
flat angles P-C4'-P energy: -30.423
tors. eta vs tors. theta energy: -59.333
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1093.528012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.528012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.528012 (E_RNA)
where:
Base-Base interactions energy: -605.491
where: short stacking energy: -237.191
Base-Backbone interact. energy: -0.006
local terms energy: -281.030735
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -63.271
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -52.790
Dist. restrs. and SS energy: -207.000 (S_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: 265
Temperature: 0.900000
Total energy: -1466.772354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.772354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.372354 (E_RNA)
where:
Base-Base interactions energy: -884.270
where: short stacking energy: -363.828
Base-Backbone interact. energy: -3.056
local terms energy: -376.046354
where:
bonds (distance) C4'-P energy: -77.340
bonds (distance) P-C4' energy: -74.836
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -47.195
tors. eta vs tors. theta energy: -98.046
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1439.070188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.070188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.870188 (E_RNA)
where:
Base-Base interactions energy: -856.166
where: short stacking energy: -336.343
Base-Backbone interact. energy: -4.686
local terms energy: -382.018568
where:
bonds (distance) C4'-P energy: -75.109
bonds (distance) P-C4' energy: -69.763
flat angles C4'-P-C4' energy: -84.679
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -100.786
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1376.272375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.272375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.872375 (E_RNA)
where:
Base-Base interactions energy: -829.646
where: short stacking energy: -327.960
Base-Backbone interact. energy: 0.803
local terms energy: -335.029220
where:
bonds (distance) C4'-P energy: -60.132
bonds (distance) P-C4' energy: -65.708
flat angles C4'-P-C4' energy: -74.893
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -80.094
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1334.837879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.837879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.837879 (E_RNA)
where:
Base-Base interactions energy: -810.636
where: short stacking energy: -329.854
Base-Backbone interact. energy: 0.556
local terms energy: -317.757635
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -76.443
flat angles P-C4'-P energy: -39.913
tors. eta vs tors. theta energy: -84.958
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1251.028860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.028860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.028860 (E_RNA)
where:
Base-Base interactions energy: -716.415
where: short stacking energy: -287.892
Base-Backbone interact. energy: -2.986
local terms energy: -333.627525
where:
bonds (distance) C4'-P energy: -59.831
bonds (distance) P-C4' energy: -72.551
flat angles C4'-P-C4' energy: -65.612
flat angles P-C4'-P energy: -51.298
tors. eta vs tors. theta energy: -84.336
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1263.727737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.727737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.327737 (E_RNA)
where:
Base-Base interactions energy: -720.914
where: short stacking energy: -274.576
Base-Backbone interact. energy: 1.323
local terms energy: -322.737039
where:
bonds (distance) C4'-P energy: -66.905
bonds (distance) P-C4' energy: -66.167
flat angles C4'-P-C4' energy: -69.073
flat angles P-C4'-P energy: -48.509
tors. eta vs tors. theta energy: -72.083
Dist. restrs. and SS energy: -221.400 (S_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: 265
Temperature: 1.200000
Total energy: -1171.263906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.263906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.263906 (E_RNA)
where:
Base-Base interactions energy: -652.839
where: short stacking energy: -262.551
Base-Backbone interact. energy: -4.291
local terms energy: -307.134579
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -77.177
flat angles C4'-P-C4' energy: -59.309
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -73.829
Dist. restrs. and SS energy: -207.000 (S_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: 265
Temperature: 1.250000
Total energy: -1145.992168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.992168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.992168 (E_RNA)
where:
Base-Base interactions energy: -661.980
where: short stacking energy: -255.201
Base-Backbone interact. energy: 1.823
local terms energy: -278.834323
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -58.849
flat angles C4'-P-C4' energy: -72.095
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -51.010
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1069.628645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.628645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.428645 (E_RNA)
where:
Base-Base interactions energy: -598.784
where: short stacking energy: -231.028
Base-Backbone interact. energy: -0.342
local terms energy: -283.302837
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -65.042
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -72.170
Dist. restrs. and SS energy: -187.200 (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: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1087.824148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.824148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.424148 (E_RNA)
where:
Base-Base interactions energy: -629.013
where: short stacking energy: -234.937
Base-Backbone interact. energy: -1.342
local terms energy: -263.069378
where:
bonds (distance) C4'-P energy: -57.093
bonds (distance) P-C4' energy: -43.815
flat angles C4'-P-C4' energy: -66.146
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -57.262
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1486.992848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.992848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.992848 (E_RNA)
where:
Base-Base interactions energy: -901.029
where: short stacking energy: -332.893
Base-Backbone interact. energy: -2.361
local terms energy: -385.602295
where:
bonds (distance) C4'-P energy: -74.629
bonds (distance) P-C4' energy: -82.024
flat angles C4'-P-C4' energy: -82.849
flat angles P-C4'-P energy: -55.636
tors. eta vs tors. theta energy: -90.463
Dist. restrs. and SS energy: -198.000 (S_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: 266
Temperature: 0.950000
Total energy: -1435.449365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.449365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.249365 (E_RNA)
where:
Base-Base interactions energy: -855.519
where: short stacking energy: -349.033
Base-Backbone interact. energy: -0.930
local terms energy: -373.800228
where:
bonds (distance) C4'-P energy: -72.183
bonds (distance) P-C4' energy: -72.033
flat angles C4'-P-C4' energy: -83.801
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: -95.896
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1375.291821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.291821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.491821 (E_RNA)
where:
Base-Base interactions energy: -809.341
where: short stacking energy: -326.304
Base-Backbone interact. energy: -6.162
local terms energy: -350.989250
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -62.993
flat angles C4'-P-C4' energy: -72.933
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -85.103
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1342.159754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.159754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.759754 (E_RNA)
where:
Base-Base interactions energy: -789.791
where: short stacking energy: -340.398
Base-Backbone interact. energy: 3.070
local terms energy: -352.037982
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -74.735
flat angles C4'-P-C4' energy: -65.009
flat angles P-C4'-P energy: -58.317
tors. eta vs tors. theta energy: -89.249
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1239.399113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.399113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.399113 (E_RNA)
where:
Base-Base interactions energy: -713.923
where: short stacking energy: -299.672
Base-Backbone interact. energy: -1.662
local terms energy: -325.813751
where:
bonds (distance) C4'-P energy: -66.812
bonds (distance) P-C4' energy: -61.462
flat angles C4'-P-C4' energy: -73.152
flat angles P-C4'-P energy: -45.047
tors. eta vs tors. theta energy: -79.342
Dist. restrs. and SS energy: -198.000 (S_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: 266
Temperature: 1.150000
Total energy: -1278.344962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.344962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.144962 (E_RNA)
where:
Base-Base interactions energy: -728.573
where: short stacking energy: -287.549
Base-Backbone interact. energy: 3.268
local terms energy: -338.840361
where:
bonds (distance) C4'-P energy: -64.932
bonds (distance) P-C4' energy: -74.651
flat angles C4'-P-C4' energy: -68.286
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -80.539
Dist. restrs. and SS energy: -214.200 (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: 266
Temperature: 1.200000
Total energy: -1180.314115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.314115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.114115 (E_RNA)
where:
Base-Base interactions energy: -687.689
where: short stacking energy: -269.162
Base-Backbone interact. energy: -2.309
local terms energy: -285.116218
where:
bonds (distance) C4'-P energy: -59.023
bonds (distance) P-C4' energy: -65.352
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: -61.262
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1130.062408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.062408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.862408 (E_RNA)
where:
Base-Base interactions energy: -646.676
where: short stacking energy: -255.185
Base-Backbone interact. energy: -0.305
local terms energy: -286.880560
where:
bonds (distance) C4'-P energy: -52.644
bonds (distance) P-C4' energy: -63.097
flat angles C4'-P-C4' energy: -69.467
flat angles P-C4'-P energy: -34.162
tors. eta vs tors. theta energy: -67.512
Dist. restrs. and SS energy: -196.200 (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: 266
Temperature: 1.300000
Total energy: -1132.132928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.132928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.932928 (E_RNA)
where:
Base-Base interactions energy: -649.367
where: short stacking energy: -258.634
Base-Backbone interact. energy: 0.107
local terms energy: -286.672586
where:
bonds (distance) C4'-P energy: -55.824
bonds (distance) P-C4' energy: -60.928
flat angles C4'-P-C4' energy: -65.678
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -65.869
Dist. restrs. and SS energy: -196.200 (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: 266
Temperature: 1.350000
Total energy: -1023.356976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.356976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.356976 (E_RNA)
where:
Base-Base interactions energy: -559.719
where: short stacking energy: -236.681
Base-Backbone interact. energy: -0.375
local terms energy: -283.262837
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -56.840
flat angles C4'-P-C4' energy: -65.658
flat angles P-C4'-P energy: -45.258
tors. eta vs tors. theta energy: -56.254
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1464.050402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.050402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.450402 (E_RNA)
where:
Base-Base interactions energy: -873.314
where: short stacking energy: -358.644
Base-Backbone interact. energy: -1.205
local terms energy: -387.931476
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -69.812
flat angles C4'-P-C4' energy: -85.484
flat angles P-C4'-P energy: -53.870
tors. eta vs tors. theta energy: -104.025
Dist. restrs. and SS energy: -201.600 (S_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: 267
Temperature: 0.950000
Total energy: -1405.794872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.794872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.994872 (E_RNA)
where:
Base-Base interactions energy: -848.846
where: short stacking energy: -341.578
Base-Backbone interact. energy: -0.950
local terms energy: -347.198807
where:
bonds (distance) C4'-P energy: -76.060
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -80.095
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -81.647
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1361.511822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.511822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.511822 (E_RNA)
where:
Base-Base interactions energy: -792.470
where: short stacking energy: -317.717
Base-Backbone interact. energy: -0.904
local terms energy: -361.138122
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -77.981
flat angles C4'-P-C4' energy: -74.632
flat angles P-C4'-P energy: -56.178
tors. eta vs tors. theta energy: -90.550
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1322.426652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.426652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.626652 (E_RNA)
where:
Base-Base interactions energy: -789.483
where: short stacking energy: -318.530
Base-Backbone interact. energy: -1.921
local terms energy: -322.222018
where:
bonds (distance) C4'-P energy: -66.185
bonds (distance) P-C4' energy: -64.109
flat angles C4'-P-C4' energy: -77.550
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -75.484
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1254.948735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.948735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.148735 (E_RNA)
where:
Base-Base interactions energy: -736.875
where: short stacking energy: -283.838
Base-Backbone interact. energy: -1.106
local terms energy: -317.167558
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -67.662
flat angles C4'-P-C4' energy: -70.464
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -65.431
Dist. restrs. and SS energy: -199.800 (S_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: -1255.814810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.814810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.614810 (E_RNA)
where:
Base-Base interactions energy: -724.260
where: short stacking energy: -294.449
Base-Backbone interact. energy: -3.500
local terms energy: -313.854773
where:
bonds (distance) C4'-P energy: -62.792
bonds (distance) P-C4' energy: -68.561
flat angles C4'-P-C4' energy: -70.402
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: -71.264
Dist. restrs. and SS energy: -214.200 (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: 267
Temperature: 1.200000
Total energy: -1174.199756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.199756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.999756 (E_RNA)
where:
Base-Base interactions energy: -670.798
where: short stacking energy: -264.948
Base-Backbone interact. energy: -0.906
local terms energy: -306.296080
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -68.604
flat angles P-C4'-P energy: -53.407
tors. eta vs tors. theta energy: -61.635
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1182.600712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.600712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.000712 (E_RNA)
where:
Base-Base interactions energy: -687.734
where: short stacking energy: -269.444
Base-Backbone interact. energy: 0.882
local terms energy: -294.148507
where:
bonds (distance) C4'-P energy: -57.139
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -63.208
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -64.342
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1114.417791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.417791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.817791 (E_RNA)
where:
Base-Base interactions energy: -608.049
where: short stacking energy: -236.066
Base-Backbone interact. energy: -1.210
local terms energy: -294.558681
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -67.249
flat angles C4'-P-C4' energy: -70.603
flat angles P-C4'-P energy: -42.299
tors. eta vs tors. theta energy: -59.378
Dist. restrs. and SS energy: -210.600 (S_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: -1045.042254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.042254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.642254 (E_RNA)
where:
Base-Base interactions energy: -611.436
where: short stacking energy: -217.359
Base-Backbone interact. energy: 0.646
local terms energy: -239.851844
where:
bonds (distance) C4'-P energy: -59.439
bonds (distance) P-C4' energy: -47.119
flat angles C4'-P-C4' energy: -54.379
flat angles P-C4'-P energy: -32.061
tors. eta vs tors. theta energy: -46.854
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1468.013253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.013253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.813253 (E_RNA)
where:
Base-Base interactions energy: -881.575
where: short stacking energy: -359.929
Base-Backbone interact. energy: -0.280
local terms energy: -389.958190
where:
bonds (distance) C4'-P energy: -72.123
bonds (distance) P-C4' energy: -81.279
flat angles C4'-P-C4' energy: -82.684
flat angles P-C4'-P energy: -56.891
tors. eta vs tors. theta energy: -96.981
Dist. restrs. and SS energy: -196.200 (S_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: 268
Temperature: 0.950000
Total energy: -1410.216316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.216316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.216316 (E_RNA)
where:
Base-Base interactions energy: -840.943
where: short stacking energy: -342.975
Base-Backbone interact. energy: 1.257
local terms energy: -363.530297
where:
bonds (distance) C4'-P energy: -73.931
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -66.795
flat angles P-C4'-P energy: -49.485
tors. eta vs tors. theta energy: -91.324
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1376.221802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.221802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.021802 (E_RNA)
where:
Base-Base interactions energy: -823.000
where: short stacking energy: -335.191
Base-Backbone interact. energy: -0.913
local terms energy: -347.109103
where:
bonds (distance) C4'-P energy: -63.782
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -77.868
flat angles P-C4'-P energy: -53.722
tors. eta vs tors. theta energy: -85.646
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1311.150344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.150344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.950344 (E_RNA)
where:
Base-Base interactions energy: -777.075
where: short stacking energy: -304.515
Base-Backbone interact. energy: 1.593
local terms energy: -339.468545
where:
bonds (distance) C4'-P energy: -63.375
bonds (distance) P-C4' energy: -72.977
flat angles C4'-P-C4' energy: -72.721
flat angles P-C4'-P energy: -56.815
tors. eta vs tors. theta energy: -73.580
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1239.683532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.683532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.283532 (E_RNA)
where:
Base-Base interactions energy: -711.369
where: short stacking energy: -301.852
Base-Backbone interact. energy: -1.326
local terms energy: -323.588779
where:
bonds (distance) C4'-P energy: -61.795
bonds (distance) P-C4' energy: -72.824
flat angles C4'-P-C4' energy: -68.791
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -76.547
Dist. restrs. and SS energy: -203.400 (S_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: 268
Temperature: 1.150000
Total energy: -1261.310923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.310923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.910923 (E_RNA)
where:
Base-Base interactions energy: -737.650
where: short stacking energy: -295.967
Base-Backbone interact. energy: -1.862
local terms energy: -300.399367
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -72.251
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -74.369
Dist. restrs. and SS energy: -221.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1175.172313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.172313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.572313 (E_RNA)
where:
Base-Base interactions energy: -657.257
where: short stacking energy: -280.612
Base-Backbone interact. energy: 1.038
local terms energy: -308.353992
where:
bonds (distance) C4'-P energy: -71.982
bonds (distance) P-C4' energy: -61.848
flat angles C4'-P-C4' energy: -64.740
flat angles P-C4'-P energy: -47.202
tors. eta vs tors. theta energy: -62.583
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1170.967774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.967774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.567774 (E_RNA)
where:
Base-Base interactions energy: -651.117
where: short stacking energy: -258.682
Base-Backbone interact. energy: -0.369
local terms energy: -316.081539
where:
bonds (distance) C4'-P energy: -55.990
bonds (distance) P-C4' energy: -70.085
flat angles C4'-P-C4' energy: -68.620
flat angles P-C4'-P energy: -49.760
tors. eta vs tors. theta energy: -71.626
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1089.855703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.855703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.855703 (E_RNA)
where:
Base-Base interactions energy: -624.446
where: short stacking energy: -242.078
Base-Backbone interact. energy: -1.658
local terms energy: -256.751862
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -64.377
flat angles P-C4'-P energy: -28.568
tors. eta vs tors. theta energy: -56.047
Dist. restrs. and SS energy: -207.000 (S_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: -1004.397735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.397735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.397735 (E_RNA)
where:
Base-Base interactions energy: -555.599
where: short stacking energy: -220.781
Base-Backbone interact. energy: 3.243
local terms energy: -263.041527
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -61.074
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1454.869376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.869376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.269376 (E_RNA)
where:
Base-Base interactions energy: -875.964
where: short stacking energy: -325.010
Base-Backbone interact. energy: -2.280
local terms energy: -375.025824
where:
bonds (distance) C4'-P energy: -79.030
bonds (distance) P-C4' energy: -72.864
flat angles C4'-P-C4' energy: -81.883
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -89.713
Dist. restrs. and SS energy: -201.600 (S_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: -1402.148268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.148268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.748268 (E_RNA)
where:
Base-Base interactions energy: -832.332
where: short stacking energy: -326.461
Base-Backbone interact. energy: 0.090
local terms energy: -366.506016
where:
bonds (distance) C4'-P energy: -69.212
bonds (distance) P-C4' energy: -74.725
flat angles C4'-P-C4' energy: -82.918
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -96.422
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1369.315129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.315129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.315129 (E_RNA)
where:
Base-Base interactions energy: -823.788
where: short stacking energy: -318.537
Base-Backbone interact. energy: -1.105
local terms energy: -337.422120
where:
bonds (distance) C4'-P energy: -64.479
bonds (distance) P-C4' energy: -64.727
flat angles C4'-P-C4' energy: -66.937
flat angles P-C4'-P energy: -57.507
tors. eta vs tors. theta energy: -83.772
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1336.457941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.457941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.657941 (E_RNA)
where:
Base-Base interactions energy: -782.406
where: short stacking energy: -323.614
Base-Backbone interact. energy: 3.700
local terms energy: -357.952130
where:
bonds (distance) C4'-P energy: -63.792
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -71.123
flat angles P-C4'-P energy: -55.454
tors. eta vs tors. theta energy: -91.673
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1260.600687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.600687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.600687 (E_RNA)
where:
Base-Base interactions energy: -721.927
where: short stacking energy: -287.348
Base-Backbone interact. energy: -2.458
local terms energy: -329.214973
where:
bonds (distance) C4'-P energy: -58.372
bonds (distance) P-C4' energy: -70.804
flat angles C4'-P-C4' energy: -75.729
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -76.309
Dist. restrs. and SS energy: -207.000 (S_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: 269
Temperature: 1.150000
Total energy: -1275.398843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.398843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.198843 (E_RNA)
where:
Base-Base interactions energy: -756.329
where: short stacking energy: -305.268
Base-Backbone interact. energy: -3.125
local terms energy: -301.743974
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -69.853
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -74.092
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1158.185926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.185926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.385926 (E_RNA)
where:
Base-Base interactions energy: -640.087
where: short stacking energy: -274.602
Base-Backbone interact. energy: -2.245
local terms energy: -307.054015
where:
bonds (distance) C4'-P energy: -64.712
bonds (distance) P-C4' energy: -69.642
flat angles C4'-P-C4' energy: -65.009
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -67.681
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1169.845924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.845924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.845924 (E_RNA)
where:
Base-Base interactions energy: -689.901
where: short stacking energy: -276.938
Base-Backbone interact. energy: -1.809
local terms energy: -280.136435
where:
bonds (distance) C4'-P energy: -62.527
bonds (distance) P-C4' energy: -55.017
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -71.896
Dist. restrs. and SS energy: -198.000 (S_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: 269
Temperature: 1.300000
Total energy: -1100.831661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.031661 (E_RNA)
where:
Base-Base interactions energy: -618.481
where: short stacking energy: -241.816
Base-Backbone interact. energy: -1.001
local terms energy: -281.549624
where:
bonds (distance) C4'-P energy: -67.001
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -59.269
flat angles P-C4'-P energy: -45.504
tors. eta vs tors. theta energy: -55.329
Dist. restrs. and SS energy: -199.800 (S_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: -1024.268885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.268885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.468885 (E_RNA)
where:
Base-Base interactions energy: -573.843
where: short stacking energy: -220.378
Base-Backbone interact. energy: -0.842
local terms energy: -249.783547
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -43.886
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -50.676
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1486.777992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.777992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.977992 (E_RNA)
where:
Base-Base interactions energy: -910.430
where: short stacking energy: -343.514
Base-Backbone interact. energy: -0.911
local terms energy: -375.636685
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -75.831
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: -88.234
Dist. restrs. and SS energy: -199.800 (S_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: 270
Temperature: 0.950000
Total energy: -1424.790959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.790959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.390959 (E_RNA)
where:
Base-Base interactions energy: -857.587
where: short stacking energy: -333.988
Base-Backbone interact. energy: -0.165
local terms energy: -363.638666
where:
bonds (distance) C4'-P energy: -68.196
bonds (distance) P-C4' energy: -67.394
flat angles C4'-P-C4' energy: -83.225
flat angles P-C4'-P energy: -54.009
tors. eta vs tors. theta energy: -90.815
Dist. restrs. and SS energy: -203.400 (S_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: 270
Temperature: 1.000000
Total energy: -1365.794400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.794400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.794400 (E_RNA)
where:
Base-Base interactions energy: -814.989
where: short stacking energy: -325.935
Base-Backbone interact. energy: -0.001
local terms energy: -352.804701
where:
bonds (distance) C4'-P energy: -77.052
bonds (distance) P-C4' energy: -72.282
flat angles C4'-P-C4' energy: -73.028
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -81.399
Dist. restrs. and SS energy: -198.000 (S_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: 270
Temperature: 1.050000
Total energy: -1355.669795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.669795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.469795 (E_RNA)
where:
Base-Base interactions energy: -831.153
where: short stacking energy: -340.551
Base-Backbone interact. energy: 0.008
local terms energy: -319.325453
where:
bonds (distance) C4'-P energy: -45.721
bonds (distance) P-C4' energy: -67.645
flat angles C4'-P-C4' energy: -76.786
flat angles P-C4'-P energy: -46.038
tors. eta vs tors. theta energy: -83.136
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1279.670117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.670117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.070117 (E_RNA)
where:
Base-Base interactions energy: -755.332
where: short stacking energy: -276.311
Base-Backbone interact. energy: 1.689
local terms energy: -315.427238
where:
bonds (distance) C4'-P energy: -70.629
bonds (distance) P-C4' energy: -62.949
flat angles C4'-P-C4' energy: -78.905
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -61.376
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1224.532424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.532424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.332424 (E_RNA)
where:
Base-Base interactions energy: -715.154
where: short stacking energy: -299.360
Base-Backbone interact. energy: 7.517
local terms energy: -320.695347
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -56.710
flat angles C4'-P-C4' energy: -71.648
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -83.569
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1182.283686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.283686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.483686 (E_RNA)
where:
Base-Base interactions energy: -703.329
where: short stacking energy: -278.422
Base-Backbone interact. energy: 6.700
local terms energy: -276.855315
where:
bonds (distance) C4'-P energy: -48.972
bonds (distance) P-C4' energy: -66.969
flat angles C4'-P-C4' energy: -61.171
flat angles P-C4'-P energy: -42.617
tors. eta vs tors. theta energy: -57.126
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1125.533000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.533000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.533000 (E_RNA)
where:
Base-Base interactions energy: -618.558
where: short stacking energy: -247.245
Base-Backbone interact. energy: -0.895
local terms energy: -299.080412
where:
bonds (distance) C4'-P energy: -63.799
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -60.999
flat angles P-C4'-P energy: -41.622
tors. eta vs tors. theta energy: -72.066
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1095.248623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.248623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.648623 (E_RNA)
where:
Base-Base interactions energy: -595.434
where: short stacking energy: -239.258
Base-Backbone interact. energy: -2.367
local terms energy: -295.846813
where:
bonds (distance) C4'-P energy: -59.645
bonds (distance) P-C4' energy: -68.389
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -52.901
Dist. restrs. and SS energy: -201.600 (S_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: 270
Temperature: 1.350000
Total energy: -1044.135964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.135964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.935964 (E_RNA)
where:
Base-Base interactions energy: -595.400
where: short stacking energy: -243.459
Base-Backbone interact. energy: 3.611
local terms energy: -256.147278
where:
bonds (distance) C4'-P energy: -55.773
bonds (distance) P-C4' energy: -53.917
flat angles C4'-P-C4' energy: -71.145
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -53.250
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1495.565545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.565545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.565545 (E_RNA)
where:
Base-Base interactions energy: -904.884
where: short stacking energy: -352.025
Base-Backbone interact. energy: -1.584
local terms energy: -391.097973
where:
bonds (distance) C4'-P energy: -73.932
bonds (distance) P-C4' energy: -74.169
flat angles C4'-P-C4' energy: -84.614
flat angles P-C4'-P energy: -63.097
tors. eta vs tors. theta energy: -95.286
Dist. restrs. and SS energy: -198.000 (S_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: 271
Temperature: 0.950000
Total energy: -1416.851412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.851412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.851412 (E_RNA)
where:
Base-Base interactions energy: -834.583
where: short stacking energy: -343.937
Base-Backbone interact. energy: 1.015
local terms energy: -376.283003
where:
bonds (distance) C4'-P energy: -78.328
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: -96.649
Dist. restrs. and SS energy: -207.000 (S_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: 271
Temperature: 1.000000
Total energy: -1390.357460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.357460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.557460 (E_RNA)
where:
Base-Base interactions energy: -841.689
where: short stacking energy: -335.958
Base-Backbone interact. energy: 0.353
local terms energy: -349.220922
where:
bonds (distance) C4'-P energy: -62.617
bonds (distance) P-C4' energy: -68.025
flat angles C4'-P-C4' energy: -80.379
flat angles P-C4'-P energy: -47.426
tors. eta vs tors. theta energy: -90.774
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1313.671150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.671150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.471150 (E_RNA)
where:
Base-Base interactions energy: -759.526
where: short stacking energy: -303.358
Base-Backbone interact. energy: -2.077
local terms energy: -337.868441
where:
bonds (distance) C4'-P energy: -70.886
bonds (distance) P-C4' energy: -64.828
flat angles C4'-P-C4' energy: -66.020
flat angles P-C4'-P energy: -60.531
tors. eta vs tors. theta energy: -75.604
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1324.963539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.963539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.163539 (E_RNA)
where:
Base-Base interactions energy: -773.929
where: short stacking energy: -313.254
Base-Backbone interact. energy: -1.282
local terms energy: -340.952669
where:
bonds (distance) C4'-P energy: -62.467
bonds (distance) P-C4' energy: -75.638
flat angles C4'-P-C4' energy: -73.750
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -81.884
Dist. restrs. and SS energy: -208.800 (S_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: 271
Temperature: 1.150000
Total energy: -1215.504955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.504955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.504955 (E_RNA)
where:
Base-Base interactions energy: -713.650
where: short stacking energy: -282.164
Base-Backbone interact. energy: 1.096
local terms energy: -286.951300
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -56.008
flat angles C4'-P-C4' energy: -63.436
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -75.321
Dist. restrs. and SS energy: -216.000 (S_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: 271
Temperature: 1.200000
Total energy: -1193.768025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.768025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.368025 (E_RNA)
where:
Base-Base interactions energy: -679.678
where: short stacking energy: -279.707
Base-Backbone interact. energy: -1.233
local terms energy: -309.456692
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -59.634
flat angles C4'-P-C4' energy: -75.757
flat angles P-C4'-P energy: -44.629
tors. eta vs tors. theta energy: -71.960
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1134.364740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.364740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.164740 (E_RNA)
where:
Base-Base interactions energy: -632.523
where: short stacking energy: -242.587
Base-Backbone interact. energy: 1.365
local terms energy: -298.006495
where:
bonds (distance) C4'-P energy: -65.642
bonds (distance) P-C4' energy: -67.779
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -48.690
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1137.474149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.474149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.074149 (E_RNA)
where:
Base-Base interactions energy: -661.257
where: short stacking energy: -262.511
Base-Backbone interact. energy: 1.923
local terms energy: -274.740091
where:
bonds (distance) C4'-P energy: -59.259
bonds (distance) P-C4' energy: -55.330
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -67.244
Dist. restrs. and SS energy: -203.400 (S_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: 271
Temperature: 1.350000
Total energy: -990.800666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.800666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.800666 (E_RNA)
where:
Base-Base interactions energy: -562.269
where: short stacking energy: -232.172
Base-Backbone interact. energy: 2.576
local terms energy: -242.108157
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -61.486
flat angles C4'-P-C4' energy: -49.854
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -54.058
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1492.236617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.236617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.636617 (E_RNA)
where:
Base-Base interactions energy: -918.385
where: short stacking energy: -370.855
Base-Backbone interact. energy: 1.702
local terms energy: -373.953775
where:
bonds (distance) C4'-P energy: -70.082
bonds (distance) P-C4' energy: -68.902
flat angles C4'-P-C4' energy: -77.444
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -99.211
Dist. restrs. and SS energy: -201.600 (S_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: 272
Temperature: 0.950000
Total energy: -1406.827536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.827536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.427536 (E_RNA)
where:
Base-Base interactions energy: -816.321
where: short stacking energy: -329.644
Base-Backbone interact. energy: -2.276
local terms energy: -384.830885
where:
bonds (distance) C4'-P energy: -73.313
bonds (distance) P-C4' energy: -70.331
flat angles C4'-P-C4' energy: -78.876
flat angles P-C4'-P energy: -63.252
tors. eta vs tors. theta energy: -99.058
Dist. restrs. and SS energy: -203.400 (S_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: 272
Temperature: 1.000000
Total energy: -1389.728917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.728917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.728917 (E_RNA)
where:
Base-Base interactions energy: -812.436
where: short stacking energy: -336.362
Base-Backbone interact. energy: -1.178
local terms energy: -378.114943
where:
bonds (distance) C4'-P energy: -71.536
bonds (distance) P-C4' energy: -70.840
flat angles C4'-P-C4' energy: -78.906
flat angles P-C4'-P energy: -59.793
tors. eta vs tors. theta energy: -97.040
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1323.481867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.481867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.281867 (E_RNA)
where:
Base-Base interactions energy: -794.263
where: short stacking energy: -313.129
Base-Backbone interact. energy: 1.566
local terms energy: -316.585210
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -69.181
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -81.315
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1320.907374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.907374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.907374 (E_RNA)
where:
Base-Base interactions energy: -772.883
where: short stacking energy: -316.497
Base-Backbone interact. energy: -3.020
local terms energy: -338.004282
where:
bonds (distance) C4'-P energy: -68.989
bonds (distance) P-C4' energy: -62.124
flat angles C4'-P-C4' energy: -70.038
flat angles P-C4'-P energy: -52.895
tors. eta vs tors. theta energy: -83.958
Dist. restrs. and SS energy: -207.000 (S_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: 272
Temperature: 1.150000
Total energy: -1249.417822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.417822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.217822 (E_RNA)
where:
Base-Base interactions energy: -712.601
where: short stacking energy: -305.634
Base-Backbone interact. energy: -1.986
local terms energy: -329.630628
where:
bonds (distance) C4'-P energy: -54.479
bonds (distance) P-C4' energy: -71.786
flat angles C4'-P-C4' energy: -71.274
flat angles P-C4'-P energy: -50.053
tors. eta vs tors. theta energy: -82.038
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1164.502726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.502726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.502726 (E_RNA)
where:
Base-Base interactions energy: -664.772
where: short stacking energy: -266.039
Base-Backbone interact. energy: 0.549
local terms energy: -302.279706
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -66.641
flat angles C4'-P-C4' energy: -69.191
flat angles P-C4'-P energy: -37.735
tors. eta vs tors. theta energy: -67.483
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1153.510217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.510217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.710217 (E_RNA)
where:
Base-Base interactions energy: -678.795
where: short stacking energy: -279.967
Base-Backbone interact. energy: -1.005
local terms energy: -273.910238
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -50.492
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -59.309
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1030.803743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.803743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.003743 (E_RNA)
where:
Base-Base interactions energy: -579.794
where: short stacking energy: -221.119
Base-Backbone interact. energy: 2.815
local terms energy: -263.025353
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -71.704
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -51.233
Dist. restrs. and SS energy: -190.800 (S_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: 272
Temperature: 1.350000
Total energy: -1121.355992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.355992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.355992 (E_RNA)
where:
Base-Base interactions energy: -643.589
where: short stacking energy: -235.989
Base-Backbone interact. energy: -2.628
local terms energy: -268.138686
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -67.424
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -46.422
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1473.755803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.755803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.755803 (E_RNA)
where:
Base-Base interactions energy: -882.389
where: short stacking energy: -346.130
Base-Backbone interact. energy: -5.159
local terms energy: -388.208389
where:
bonds (distance) C4'-P energy: -74.557
bonds (distance) P-C4' energy: -72.697
flat angles C4'-P-C4' energy: -83.645
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -97.276
Dist. restrs. and SS energy: -198.000 (S_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: 273
Temperature: 0.950000
Total energy: -1391.551158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.551158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.951158 (E_RNA)
where:
Base-Base interactions energy: -846.163
where: short stacking energy: -351.734
Base-Backbone interact. energy: -1.555
local terms energy: -342.232759
where:
bonds (distance) C4'-P energy: -58.338
bonds (distance) P-C4' energy: -60.991
flat angles C4'-P-C4' energy: -80.288
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -90.024
Dist. restrs. and SS energy: -201.600 (S_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: 273
Temperature: 1.000000
Total energy: -1386.777923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.777923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.777923 (E_RNA)
where:
Base-Base interactions energy: -817.469
where: short stacking energy: -331.940
Base-Backbone interact. energy: -1.272
local terms energy: -361.036203
where:
bonds (distance) C4'-P energy: -66.869
bonds (distance) P-C4' energy: -69.132
flat angles C4'-P-C4' energy: -83.587
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: -95.411
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1328.243575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.243575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.843575 (E_RNA)
where:
Base-Base interactions energy: -764.468
where: short stacking energy: -302.168
Base-Backbone interact. energy: -1.970
local terms energy: -349.404778
where:
bonds (distance) C4'-P energy: -71.958
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -73.090
flat angles P-C4'-P energy: -47.797
tors. eta vs tors. theta energy: -78.518
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1304.537426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.537426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.337426 (E_RNA)
where:
Base-Base interactions energy: -752.017
where: short stacking energy: -305.840
Base-Backbone interact. energy: -2.059
local terms energy: -345.261095
where:
bonds (distance) C4'-P energy: -69.004
bonds (distance) P-C4' energy: -67.744
flat angles C4'-P-C4' energy: -70.890
flat angles P-C4'-P energy: -53.316
tors. eta vs tors. theta energy: -84.307
Dist. restrs. and SS energy: -205.200 (S_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: 273
Temperature: 1.150000
Total energy: -1239.091132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.091132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.491132 (E_RNA)
where:
Base-Base interactions energy: -701.739
where: short stacking energy: -286.688
Base-Backbone interact. energy: -1.413
local terms energy: -325.338666
where:
bonds (distance) C4'-P energy: -62.466
bonds (distance) P-C4' energy: -61.441
flat angles C4'-P-C4' energy: -73.877
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -74.614
Dist. restrs. and SS energy: -210.600 (S_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: 273
Temperature: 1.200000
Total energy: -1176.727536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.727536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.327536 (E_RNA)
where:
Base-Base interactions energy: -680.822
where: short stacking energy: -279.244
Base-Backbone interact. energy: -2.500
local terms energy: -290.005652
where:
bonds (distance) C4'-P energy: -56.975
bonds (distance) P-C4' energy: -59.687
flat angles C4'-P-C4' energy: -74.681
flat angles P-C4'-P energy: -34.744
tors. eta vs tors. theta energy: -63.920
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1170.570055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.570055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.570055 (E_RNA)
where:
Base-Base interactions energy: -661.161
where: short stacking energy: -263.635
Base-Backbone interact. energy: -1.233
local terms energy: -310.175851
where:
bonds (distance) C4'-P energy: -63.374
bonds (distance) P-C4' energy: -58.800
flat angles C4'-P-C4' energy: -74.125
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -73.802
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1069.011723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.011723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.611723 (E_RNA)
where:
Base-Base interactions energy: -596.714
where: short stacking energy: -227.061
Base-Backbone interact. energy: 0.621
local terms energy: -269.518951
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -64.106
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -54.051
Dist. restrs. and SS energy: -203.400 (S_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: 273
Temperature: 1.350000
Total energy: -1114.955712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.955712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.355712 (E_RNA)
where:
Base-Base interactions energy: -642.599
where: short stacking energy: -243.453
Base-Backbone interact. energy: -1.917
local terms energy: -250.839334
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -40.843
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: -49.336
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1462.447833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.447833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.447833 (E_RNA)
where:
Base-Base interactions energy: -877.779
where: short stacking energy: -357.153
Base-Backbone interact. energy: -4.547
local terms energy: -382.121439
where:
bonds (distance) C4'-P energy: -67.544
bonds (distance) P-C4' energy: -70.341
flat angles C4'-P-C4' energy: -79.590
flat angles P-C4'-P energy: -60.130
tors. eta vs tors. theta energy: -104.517
Dist. restrs. and SS energy: -198.000 (S_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: 274
Temperature: 0.950000
Total energy: -1394.711777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.711777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.111777 (E_RNA)
where:
Base-Base interactions energy: -824.444
where: short stacking energy: -343.088
Base-Backbone interact. energy: -2.711
local terms energy: -365.957670
where:
bonds (distance) C4'-P energy: -67.854
bonds (distance) P-C4' energy: -77.156
flat angles C4'-P-C4' energy: -79.320
flat angles P-C4'-P energy: -51.829
tors. eta vs tors. theta energy: -89.799
Dist. restrs. and SS energy: -201.600 (S_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: 274
Temperature: 1.000000
Total energy: -1390.847589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.847589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.847589 (E_RNA)
where:
Base-Base interactions energy: -818.389
where: short stacking energy: -352.244
Base-Backbone interact. energy: -2.090
local terms energy: -363.368311
where:
bonds (distance) C4'-P energy: -67.280
bonds (distance) P-C4' energy: -69.241
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -55.599
tors. eta vs tors. theta energy: -94.953
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1333.830270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.830270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.430270 (E_RNA)
where:
Base-Base interactions energy: -793.017
where: short stacking energy: -302.855
Base-Backbone interact. energy: -1.104
local terms energy: -327.309492
where:
bonds (distance) C4'-P energy: -66.580
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -70.080
flat angles P-C4'-P energy: -48.211
tors. eta vs tors. theta energy: -71.590
Dist. restrs. and SS energy: -212.400 (S_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: 274
Temperature: 1.100000
Total energy: -1310.650058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.650058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.850058 (E_RNA)
where:
Base-Base interactions energy: -754.039
where: short stacking energy: -312.722
Base-Backbone interact. energy: -1.443
local terms energy: -346.367915
where:
bonds (distance) C4'-P energy: -76.928
bonds (distance) P-C4' energy: -64.653
flat angles C4'-P-C4' energy: -76.427
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -86.464
Dist. restrs. and SS energy: -208.800 (S_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: 274
Temperature: 1.150000
Total energy: -1221.984744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.984744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.784744 (E_RNA)
where:
Base-Base interactions energy: -719.581
where: short stacking energy: -292.161
Base-Backbone interact. energy: -1.092
local terms energy: -296.111484
where:
bonds (distance) C4'-P energy: -61.580
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -68.913
flat angles P-C4'-P energy: -44.736
tors. eta vs tors. theta energy: -67.007
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1160.664760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.664760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.864760 (E_RNA)
where:
Base-Base interactions energy: -663.085
where: short stacking energy: -256.892
Base-Backbone interact. energy: 2.362
local terms energy: -309.141899
where:
bonds (distance) C4'-P energy: -55.026
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -68.786
flat angles P-C4'-P energy: -46.520
tors. eta vs tors. theta energy: -62.867
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1160.053748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.053748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.053748 (E_RNA)
where:
Base-Base interactions energy: -694.963
where: short stacking energy: -278.270
Base-Backbone interact. energy: -0.533
local terms energy: -266.558136
where:
bonds (distance) C4'-P energy: -63.449
bonds (distance) P-C4' energy: -54.687
flat angles C4'-P-C4' energy: -51.362
flat angles P-C4'-P energy: -30.792
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: -198.000 (S_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: 274
Temperature: 1.300000
Total energy: -1108.748359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.748359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.348359 (E_RNA)
where:
Base-Base interactions energy: -628.906
where: short stacking energy: -240.435
Base-Backbone interact. energy: -0.173
local terms energy: -276.269203
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -54.717
flat angles C4'-P-C4' energy: -67.219
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -55.350
Dist. restrs. and SS energy: -203.400 (S_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: 274
Temperature: 1.350000
Total energy: -1044.436628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.436628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.836628 (E_RNA)
where:
Base-Base interactions energy: -589.480
where: short stacking energy: -234.239
Base-Backbone interact. energy: 4.505
local terms energy: -266.861854
where:
bonds (distance) C4'-P energy: -64.826
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -67.857
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -49.832
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1458.899853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.899853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.899853 (E_RNA)
where:
Base-Base interactions energy: -879.248
where: short stacking energy: -365.493
Base-Backbone interact. energy: 0.156
local terms energy: -381.808387
where:
bonds (distance) C4'-P energy: -69.350
bonds (distance) P-C4' energy: -73.207
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -54.845
tors. eta vs tors. theta energy: -107.307
Dist. restrs. and SS energy: -198.000 (S_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: 275
Temperature: 0.950000
Total energy: -1418.238980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.238980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.038980 (E_RNA)
where:
Base-Base interactions energy: -831.820
where: short stacking energy: -343.126
Base-Backbone interact. energy: -3.230
local terms energy: -377.988837
where:
bonds (distance) C4'-P energy: -74.916
bonds (distance) P-C4' energy: -77.771
flat angles C4'-P-C4' energy: -79.977
flat angles P-C4'-P energy: -42.657
tors. eta vs tors. theta energy: -102.669
Dist. restrs. and SS energy: -205.200 (S_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: 275
Temperature: 1.000000
Total energy: -1392.209931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.209931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.409931 (E_RNA)
where:
Base-Base interactions energy: -832.848
where: short stacking energy: -335.349
Base-Backbone interact. energy: -2.695
local terms energy: -356.867207
where:
bonds (distance) C4'-P energy: -61.682
bonds (distance) P-C4' energy: -67.096
flat angles C4'-P-C4' energy: -78.584
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -96.205
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1313.693273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.693273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.293273 (E_RNA)
where:
Base-Base interactions energy: -780.945
where: short stacking energy: -308.769
Base-Backbone interact. energy: 1.164
local terms energy: -321.511427
where:
bonds (distance) C4'-P energy: -66.256
bonds (distance) P-C4' energy: -56.421
flat angles C4'-P-C4' energy: -81.015
flat angles P-C4'-P energy: -42.354
tors. eta vs tors. theta energy: -75.466
Dist. restrs. and SS energy: -212.400 (S_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: 275
Temperature: 1.100000
Total energy: -1272.890020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.890020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.890020 (E_RNA)
where:
Base-Base interactions energy: -748.585
where: short stacking energy: -311.872
Base-Backbone interact. energy: 4.776
local terms energy: -322.080755
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -67.667
flat angles C4'-P-C4' energy: -72.458
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -71.609
Dist. restrs. and SS energy: -207.000 (S_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: 275
Temperature: 1.150000
Total energy: -1190.141588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.141588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.741588 (E_RNA)
where:
Base-Base interactions energy: -691.557
where: short stacking energy: -283.181
Base-Backbone interact. energy: -1.378
local terms energy: -293.806728
where:
bonds (distance) C4'-P energy: -50.545
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -72.949
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -70.946
Dist. restrs. and SS energy: -203.400 (S_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: 275
Temperature: 1.200000
Total energy: -1175.599711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.599711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.599711 (E_RNA)
where:
Base-Base interactions energy: -652.969
where: short stacking energy: -257.738
Base-Backbone interact. energy: 0.591
local terms energy: -325.221682
where:
bonds (distance) C4'-P energy: -64.874
bonds (distance) P-C4' energy: -78.392
flat angles C4'-P-C4' energy: -76.842
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -54.461
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1191.524284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.524284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.524284 (E_RNA)
where:
Base-Base interactions energy: -709.179
where: short stacking energy: -271.492
Base-Backbone interact. energy: -1.171
local terms energy: -283.175126
where:
bonds (distance) C4'-P energy: -50.976
bonds (distance) P-C4' energy: -58.981
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -73.300
Dist. restrs. and SS energy: -198.000 (S_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: 275
Temperature: 1.300000
Total energy: -1122.281859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.281859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.481859 (E_RNA)
where:
Base-Base interactions energy: -626.188
where: short stacking energy: -265.629
Base-Backbone interact. energy: -1.148
local terms energy: -295.145424
where:
bonds (distance) C4'-P energy: -56.143
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -73.981
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -68.265
Dist. restrs. and SS energy: -199.800 (S_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: 275
Temperature: 1.350000
Total energy: -1019.549419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.549419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.149419 (E_RNA)
where:
Base-Base interactions energy: -571.307
where: short stacking energy: -234.714
Base-Backbone interact. energy: -1.155
local terms energy: -261.687384
where:
bonds (distance) C4'-P energy: -64.197
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -59.559
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1456.018793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.018793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.218793 (E_RNA)
where:
Base-Base interactions energy: -880.435
where: short stacking energy: -356.434
Base-Backbone interact. energy: -1.898
local terms energy: -373.885438
where:
bonds (distance) C4'-P energy: -76.853
bonds (distance) P-C4' energy: -63.812
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -105.629
Dist. restrs. and SS energy: -199.800 (S_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: 276
Temperature: 0.950000
Total energy: -1410.470626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.470626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.670626 (E_RNA)
where:
Base-Base interactions energy: -830.092
where: short stacking energy: -341.864
Base-Backbone interact. energy: -2.725
local terms energy: -368.853838
where:
bonds (distance) C4'-P energy: -77.421
bonds (distance) P-C4' energy: -71.044
flat angles C4'-P-C4' energy: -77.679
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -96.733
Dist. restrs. and SS energy: -208.800 (S_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: 276
Temperature: 1.000000
Total energy: -1381.473674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.473674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.673674 (E_RNA)
where:
Base-Base interactions energy: -813.293
where: short stacking energy: -336.269
Base-Backbone interact. energy: 1.436
local terms energy: -369.817122
where:
bonds (distance) C4'-P energy: -71.622
bonds (distance) P-C4' energy: -78.324
flat angles C4'-P-C4' energy: -74.864
flat angles P-C4'-P energy: -50.852
tors. eta vs tors. theta energy: -94.155
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1346.326149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.326149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.926149 (E_RNA)
where:
Base-Base interactions energy: -792.649
where: short stacking energy: -313.794
Base-Backbone interact. energy: -1.329
local terms energy: -339.948083
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -74.335
flat angles P-C4'-P energy: -57.203
tors. eta vs tors. theta energy: -78.255
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1275.277796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.277796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.277796 (E_RNA)
where:
Base-Base interactions energy: -741.791
where: short stacking energy: -303.992
Base-Backbone interact. energy: 2.481
local terms energy: -328.966997
where:
bonds (distance) C4'-P energy: -58.424
bonds (distance) P-C4' energy: -68.111
flat angles C4'-P-C4' energy: -79.611
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -67.655
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1219.498304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.498304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.698304 (E_RNA)
where:
Base-Base interactions energy: -685.809
where: short stacking energy: -300.783
Base-Backbone interact. energy: -3.029
local terms energy: -321.860602
where:
bonds (distance) C4'-P energy: -63.113
bonds (distance) P-C4' energy: -61.416
flat angles C4'-P-C4' energy: -71.075
flat angles P-C4'-P energy: -53.686
tors. eta vs tors. theta energy: -72.571
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1231.858958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.858958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.258958 (E_RNA)
where:
Base-Base interactions energy: -732.551
where: short stacking energy: -288.446
Base-Backbone interact. energy: -2.717
local terms energy: -294.990945
where:
bonds (distance) C4'-P energy: -64.259
bonds (distance) P-C4' energy: -58.650
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -74.053
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1128.441103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.441103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.041103 (E_RNA)
where:
Base-Base interactions energy: -625.854
where: short stacking energy: -232.869
Base-Backbone interact. energy: -1.363
local terms energy: -297.824221
where:
bonds (distance) C4'-P energy: -64.193
bonds (distance) P-C4' energy: -63.371
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -55.355
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1147.062522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.062522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.862522 (E_RNA)
where:
Base-Base interactions energy: -660.372
where: short stacking energy: -260.515
Base-Backbone interact. energy: -0.848
local terms energy: -280.642612
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -66.385
flat angles C4'-P-C4' energy: -63.717
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: -66.620
Dist. restrs. and SS energy: -205.200 (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: 276
Temperature: 1.350000
Total energy: -999.613120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.613120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.613120 (E_RNA)
where:
Base-Base interactions energy: -569.421
where: short stacking energy: -238.257
Base-Backbone interact. energy: 1.180
local terms energy: -251.372071
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -48.346
flat angles C4'-P-C4' energy: -59.532
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -53.282
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1448.010121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.010121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.410121 (E_RNA)
where:
Base-Base interactions energy: -878.831
where: short stacking energy: -347.972
Base-Backbone interact. energy: -4.125
local terms energy: -363.454256
where:
bonds (distance) C4'-P energy: -62.345
bonds (distance) P-C4' energy: -76.395
flat angles C4'-P-C4' energy: -78.751
flat angles P-C4'-P energy: -50.079
tors. eta vs tors. theta energy: -95.883
Dist. restrs. and SS energy: -201.600 (S_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: 277
Temperature: 0.950000
Total energy: -1403.730432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.730432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.530432 (E_RNA)
where:
Base-Base interactions energy: -846.095
where: short stacking energy: -337.296
Base-Backbone interact. energy: -1.626
local terms energy: -359.809143
where:
bonds (distance) C4'-P energy: -64.259
bonds (distance) P-C4' energy: -71.851
flat angles C4'-P-C4' energy: -73.463
flat angles P-C4'-P energy: -58.744
tors. eta vs tors. theta energy: -91.492
Dist. restrs. and SS energy: -196.200 (S_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: 277
Temperature: 1.000000
Total energy: -1371.175549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.175549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.775549 (E_RNA)
where:
Base-Base interactions energy: -813.303
where: short stacking energy: -327.873
Base-Backbone interact. energy: -1.433
local terms energy: -353.038908
where:
bonds (distance) C4'-P energy: -66.577
bonds (distance) P-C4' energy: -70.293
flat angles C4'-P-C4' energy: -74.069
flat angles P-C4'-P energy: -58.414
tors. eta vs tors. theta energy: -83.685
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1353.333283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.333283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.533283 (E_RNA)
where:
Base-Base interactions energy: -787.280
where: short stacking energy: -312.467
Base-Backbone interact. energy: 1.887
local terms energy: -350.140772
where:
bonds (distance) C4'-P energy: -72.457
bonds (distance) P-C4' energy: -75.450
flat angles C4'-P-C4' energy: -78.535
flat angles P-C4'-P energy: -51.355
tors. eta vs tors. theta energy: -72.343
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1249.500627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.500627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.300627 (E_RNA)
where:
Base-Base interactions energy: -750.488
where: short stacking energy: -307.070
Base-Backbone interact. energy: 1.029
local terms energy: -294.842287
where:
bonds (distance) C4'-P energy: -63.048
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -65.155
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -70.321
Dist. restrs. and SS energy: -205.200 (S_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: 277
Temperature: 1.150000
Total energy: -1286.222083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.222083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.222083 (E_RNA)
where:
Base-Base interactions energy: -774.321
where: short stacking energy: -311.372
Base-Backbone interact. energy: 8.522
local terms energy: -313.423785
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -68.881
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -85.212
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1181.539518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.539518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.139518 (E_RNA)
where:
Base-Base interactions energy: -675.070
where: short stacking energy: -287.560
Base-Backbone interact. energy: 4.414
local terms energy: -307.483656
where:
bonds (distance) C4'-P energy: -54.732
bonds (distance) P-C4' energy: -62.749
flat angles C4'-P-C4' energy: -71.811
flat angles P-C4'-P energy: -47.767
tors. eta vs tors. theta energy: -70.424
Dist. restrs. and SS energy: -203.400 (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: 277
Temperature: 1.250000
Total energy: -1137.164605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.164605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.364605 (E_RNA)
where:
Base-Base interactions energy: -651.079
where: short stacking energy: -252.868
Base-Backbone interact. energy: 2.362
local terms energy: -279.646894
where:
bonds (distance) C4'-P energy: -56.467
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -56.133
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -58.715
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1114.849086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.849086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.249086 (E_RNA)
where:
Base-Base interactions energy: -656.963
where: short stacking energy: -264.174
Base-Backbone interact. energy: 4.558
local terms energy: -260.843724
where:
bonds (distance) C4'-P energy: -40.153
bonds (distance) P-C4' energy: -59.609
flat angles C4'-P-C4' energy: -64.334
flat angles P-C4'-P energy: -43.654
tors. eta vs tors. theta energy: -53.094
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -954.946325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.946325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.946325 (E_RNA)
where:
Base-Base interactions energy: -523.637
where: short stacking energy: -214.704
Base-Backbone interact. energy: -3.271
local terms energy: -248.037924
where:
bonds (distance) C4'-P energy: -46.880
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -57.531
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -52.562
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1459.824955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.824955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.024955 (E_RNA)
where:
Base-Base interactions energy: -901.498
where: short stacking energy: -359.275
Base-Backbone interact. energy: -2.471
local terms energy: -356.056257
where:
bonds (distance) C4'-P energy: -68.662
bonds (distance) P-C4' energy: -64.087
flat angles C4'-P-C4' energy: -78.394
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: -93.548
Dist. restrs. and SS energy: -199.800 (S_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: 278
Temperature: 0.950000
Total energy: -1411.126234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.126234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.326234 (E_RNA)
where:
Base-Base interactions energy: -832.406
where: short stacking energy: -353.275
Base-Backbone interact. energy: -1.623
local terms energy: -377.297456
where:
bonds (distance) C4'-P energy: -74.851
bonds (distance) P-C4' energy: -65.866
flat angles C4'-P-C4' energy: -75.882
flat angles P-C4'-P energy: -56.697
tors. eta vs tors. theta energy: -104.002
Dist. restrs. and SS energy: -199.800 (S_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: -1379.633368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.633368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.633368 (E_RNA)
where:
Base-Base interactions energy: -808.788
where: short stacking energy: -335.652
Base-Backbone interact. energy: 0.547
local terms energy: -364.391799
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -81.010
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -90.415
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1331.348625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.348625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.348625 (E_RNA)
where:
Base-Base interactions energy: -782.605
where: short stacking energy: -300.134
Base-Backbone interact. energy: -1.908
local terms energy: -330.835928
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -68.736
flat angles C4'-P-C4' energy: -81.882
flat angles P-C4'-P energy: -51.785
tors. eta vs tors. theta energy: -74.128
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1282.335587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.335587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.535587 (E_RNA)
where:
Base-Base interactions energy: -737.947
where: short stacking energy: -307.486
Base-Backbone interact. energy: -0.643
local terms energy: -334.945659
where:
bonds (distance) C4'-P energy: -74.563
bonds (distance) P-C4' energy: -66.706
flat angles C4'-P-C4' energy: -64.227
flat angles P-C4'-P energy: -44.505
tors. eta vs tors. theta energy: -84.945
Dist. restrs. and SS energy: -208.800 (S_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: 278
Temperature: 1.150000
Total energy: -1248.352797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.352797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.152797 (E_RNA)
where:
Base-Base interactions energy: -734.685
where: short stacking energy: -307.848
Base-Backbone interact. energy: -3.032
local terms energy: -305.436258
where:
bonds (distance) C4'-P energy: -58.841
bonds (distance) P-C4' energy: -60.980
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -42.910
tors. eta vs tors. theta energy: -82.188
Dist. restrs. and SS energy: -205.200 (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: 278
Temperature: 1.200000
Total energy: -1198.154951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.154951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.754951 (E_RNA)
where:
Base-Base interactions energy: -676.133
where: short stacking energy: -242.233
Base-Backbone interact. energy: -0.316
local terms energy: -309.306252
where:
bonds (distance) C4'-P energy: -74.418
bonds (distance) P-C4' energy: -73.943
flat angles C4'-P-C4' energy: -51.996
flat angles P-C4'-P energy: -50.342
tors. eta vs tors. theta energy: -58.607
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1115.372771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.372771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.372771 (E_RNA)
where:
Base-Base interactions energy: -616.058
where: short stacking energy: -232.303
Base-Backbone interact. energy: 1.667
local terms energy: -293.981263
where:
bonds (distance) C4'-P energy: -67.566
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -59.099
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1133.518513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.518513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.118513 (E_RNA)
where:
Base-Base interactions energy: -635.725
where: short stacking energy: -269.228
Base-Backbone interact. energy: -1.883
local terms energy: -301.510746
where:
bonds (distance) C4'-P energy: -64.180
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -66.303
flat angles P-C4'-P energy: -41.664
tors. eta vs tors. theta energy: -72.339
Dist. restrs. and SS energy: -194.400 (S_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: -997.617375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.617375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.617375 (E_RNA)
where:
Base-Base interactions energy: -533.933
where: short stacking energy: -228.790
Base-Backbone interact. energy: -2.024
local terms energy: -281.660093
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -62.873
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -46.048
tors. eta vs tors. theta energy: -49.551
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1436.023663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.023663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.223663 (E_RNA)
where:
Base-Base interactions energy: -862.631
where: short stacking energy: -349.200
Base-Backbone interact. energy: -1.302
local terms energy: -372.289985
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -76.220
flat angles C4'-P-C4' energy: -81.474
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -89.523
Dist. restrs. and SS energy: -199.800 (S_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: 279
Temperature: 0.950000
Total energy: -1427.061855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.061855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.461855 (E_RNA)
where:
Base-Base interactions energy: -830.150
where: short stacking energy: -359.467
Base-Backbone interact. energy: -2.844
local terms energy: -392.467997
where:
bonds (distance) C4'-P energy: -69.132
bonds (distance) P-C4' energy: -74.712
flat angles C4'-P-C4' energy: -88.502
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -104.351
Dist. restrs. and SS energy: -201.600 (S_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: 279
Temperature: 1.000000
Total energy: -1422.559017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.559017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.159017 (E_RNA)
where:
Base-Base interactions energy: -840.257
where: short stacking energy: -347.214
Base-Backbone interact. energy: -2.214
local terms energy: -376.687253
where:
bonds (distance) C4'-P energy: -70.429
bonds (distance) P-C4' energy: -69.280
flat angles C4'-P-C4' energy: -85.304
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -104.046
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1339.782428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.782428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.582428 (E_RNA)
where:
Base-Base interactions energy: -790.415
where: short stacking energy: -344.443
Base-Backbone interact. energy: 2.744
local terms energy: -337.911229
where:
bonds (distance) C4'-P energy: -70.984
bonds (distance) P-C4' energy: -72.141
flat angles C4'-P-C4' energy: -70.039
flat angles P-C4'-P energy: -45.473
tors. eta vs tors. theta energy: -79.274
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1282.812804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.812804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.812804 (E_RNA)
where:
Base-Base interactions energy: -771.821
where: short stacking energy: -315.382
Base-Backbone interact. energy: -2.898
local terms energy: -301.094418
where:
bonds (distance) C4'-P energy: -53.633
bonds (distance) P-C4' energy: -65.804
flat angles C4'-P-C4' energy: -67.090
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -71.108
Dist. restrs. and SS energy: -207.000 (S_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: 279
Temperature: 1.150000
Total energy: -1270.020791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.020791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.020791 (E_RNA)
where:
Base-Base interactions energy: -749.618
where: short stacking energy: -317.739
Base-Backbone interact. energy: -1.637
local terms energy: -311.765041
where:
bonds (distance) C4'-P energy: -61.152
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -69.227
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -80.852
Dist. restrs. and SS energy: -207.000 (S_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: 279
Temperature: 1.200000
Total energy: -1188.896781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.896781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.496781 (E_RNA)
where:
Base-Base interactions energy: -673.149
where: short stacking energy: -271.142
Base-Backbone interact. energy: -0.108
local terms energy: -312.239887
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -68.709
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: -74.677
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1120.281940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.281940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.481940 (E_RNA)
where:
Base-Base interactions energy: -633.375
where: short stacking energy: -245.643
Base-Backbone interact. energy: -0.535
local terms energy: -277.571841
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -63.436
flat angles C4'-P-C4' energy: -59.373
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -55.960
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1114.831847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.831847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.831847 (E_RNA)
where:
Base-Base interactions energy: -651.357
where: short stacking energy: -251.610
Base-Backbone interact. energy: 0.476
local terms energy: -265.950965
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -55.258
flat angles C4'-P-C4' energy: -56.670
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -57.123
Dist. restrs. and SS energy: -198.000 (S_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: -1001.711598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.711598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.111598 (E_RNA)
where:
Base-Base interactions energy: -564.339
where: short stacking energy: -214.869
Base-Backbone interact. energy: 0.623
local terms energy: -254.395926
where:
bonds (distance) C4'-P energy: -50.563
bonds (distance) P-C4' energy: -66.995
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -40.055
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: -183.600 (S_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: 280
Temperature: 0.900000
Total energy: -1436.883028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.083028 (E_RNA)
where:
Base-Base interactions energy: -867.495
where: short stacking energy: -363.400
Base-Backbone interact. energy: -2.234
local terms energy: -367.354031
where:
bonds (distance) C4'-P energy: -70.052
bonds (distance) P-C4' energy: -69.974
flat angles C4'-P-C4' energy: -79.417
flat angles P-C4'-P energy: -49.424
tors. eta vs tors. theta energy: -98.488
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1436.273773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.273773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.473773 (E_RNA)
where:
Base-Base interactions energy: -871.485
where: short stacking energy: -339.866
Base-Backbone interact. energy: -1.371
local terms energy: -363.617528
where:
bonds (distance) C4'-P energy: -66.689
bonds (distance) P-C4' energy: -70.072
flat angles C4'-P-C4' energy: -75.405
flat angles P-C4'-P energy: -59.389
tors. eta vs tors. theta energy: -92.063
Dist. restrs. and SS energy: -199.800 (S_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: 280
Temperature: 1.000000
Total energy: -1408.244719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.244719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.244719 (E_RNA)
where:
Base-Base interactions energy: -827.356
where: short stacking energy: -331.337
Base-Backbone interact. energy: -1.042
local terms energy: -372.846939
where:
bonds (distance) C4'-P energy: -78.742
bonds (distance) P-C4' energy: -69.398
flat angles C4'-P-C4' energy: -77.862
flat angles P-C4'-P energy: -49.650
tors. eta vs tors. theta energy: -97.194
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1331.498871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.498871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.698871 (E_RNA)
where:
Base-Base interactions energy: -790.821
where: short stacking energy: -308.540
Base-Backbone interact. energy: -2.189
local terms energy: -329.688651
where:
bonds (distance) C4'-P energy: -69.458
bonds (distance) P-C4' energy: -63.579
flat angles C4'-P-C4' energy: -78.448
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -65.396
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1276.217322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.217322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.417322 (E_RNA)
where:
Base-Base interactions energy: -726.178
where: short stacking energy: -302.884
Base-Backbone interact. energy: -0.155
local terms energy: -341.083895
where:
bonds (distance) C4'-P energy: -65.491
bonds (distance) P-C4' energy: -63.777
flat angles C4'-P-C4' energy: -84.763
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -89.163
Dist. restrs. and SS energy: -208.800 (S_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: 280
Temperature: 1.150000
Total energy: -1267.938245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.938245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.138245 (E_RNA)
where:
Base-Base interactions energy: -740.018
where: short stacking energy: -296.868
Base-Backbone interact. energy: -0.246
local terms energy: -318.874371
where:
bonds (distance) C4'-P energy: -73.980
bonds (distance) P-C4' energy: -63.431
flat angles C4'-P-C4' energy: -65.191
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -72.962
Dist. restrs. and SS energy: -208.800 (S_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: 280
Temperature: 1.200000
Total energy: -1202.337915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.337915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.737915 (E_RNA)
where:
Base-Base interactions energy: -683.972
where: short stacking energy: -280.058
Base-Backbone interact. energy: -2.300
local terms energy: -305.465591
where:
bonds (distance) C4'-P energy: -63.953
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -78.990
flat angles P-C4'-P energy: -42.920
tors. eta vs tors. theta energy: -70.253
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1146.111846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.111846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.311846 (E_RNA)
where:
Base-Base interactions energy: -660.900
where: short stacking energy: -261.844
Base-Backbone interact. energy: -0.151
local terms energy: -285.261178
where:
bonds (distance) C4'-P energy: -59.907
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -59.165
flat angles P-C4'-P energy: -45.140
tors. eta vs tors. theta energy: -66.861
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1116.692293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.692293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.892293 (E_RNA)
where:
Base-Base interactions energy: -630.706
where: short stacking energy: -242.436
Base-Backbone interact. energy: 1.867
local terms energy: -297.053384
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -66.819
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: -190.800 (S_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: -1014.471833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.471833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.071833 (E_RNA)
where:
Base-Base interactions energy: -551.930
where: short stacking energy: -219.052
Base-Backbone interact. energy: 1.360
local terms energy: -278.501323
where:
bonds (distance) C4'-P energy: -63.304
bonds (distance) P-C4' energy: -53.443
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -55.792
Dist. restrs. and SS energy: -185.400 (S_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: 281
Temperature: 0.900000
Total energy: -1437.882061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.882061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.882061 (E_RNA)
where:
Base-Base interactions energy: -854.415
where: short stacking energy: -358.608
Base-Backbone interact. energy: -3.585
local terms energy: -381.882007
where:
bonds (distance) C4'-P energy: -83.833
bonds (distance) P-C4' energy: -72.101
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -62.968
tors. eta vs tors. theta energy: -92.277
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1435.173363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.173363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.373363 (E_RNA)
where:
Base-Base interactions energy: -865.032
where: short stacking energy: -340.641
Base-Backbone interact. energy: -3.340
local terms energy: -367.001868
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -69.522
flat angles C4'-P-C4' energy: -75.919
flat angles P-C4'-P energy: -56.718
tors. eta vs tors. theta energy: -94.206
Dist. restrs. and SS energy: -199.800 (S_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: 281
Temperature: 1.000000
Total energy: -1420.626502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.626502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.826502 (E_RNA)
where:
Base-Base interactions energy: -841.329
where: short stacking energy: -346.029
Base-Backbone interact. energy: -2.034
local terms energy: -377.464024
where:
bonds (distance) C4'-P energy: -68.298
bonds (distance) P-C4' energy: -84.456
flat angles C4'-P-C4' energy: -79.189
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -99.342
Dist. restrs. and SS energy: -199.800 (S_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: 281
Temperature: 1.050000
Total energy: -1327.167777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.167777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.967777 (E_RNA)
where:
Base-Base interactions energy: -761.358
where: short stacking energy: -313.016
Base-Backbone interact. energy: -1.555
local terms energy: -359.054280
where:
bonds (distance) C4'-P energy: -66.023
bonds (distance) P-C4' energy: -76.949
flat angles C4'-P-C4' energy: -72.102
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -93.873
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1300.435243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.435243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.835243 (E_RNA)
where:
Base-Base interactions energy: -765.006
where: short stacking energy: -283.705
Base-Backbone interact. energy: 1.802
local terms energy: -326.631352
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -75.238
flat angles P-C4'-P energy: -52.025
tors. eta vs tors. theta energy: -79.208
Dist. restrs. and SS energy: -210.600 (S_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: 281
Temperature: 1.150000
Total energy: -1249.570482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.570482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.770482 (E_RNA)
where:
Base-Base interactions energy: -711.967
where: short stacking energy: -300.432
Base-Backbone interact. energy: -0.377
local terms energy: -319.426950
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -64.495
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -41.097
tors. eta vs tors. theta energy: -83.661
Dist. restrs. and SS energy: -217.800 (S_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: 281
Temperature: 1.200000
Total energy: -1243.854424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.854424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.454424 (E_RNA)
where:
Base-Base interactions energy: -727.981
where: short stacking energy: -296.256
Base-Backbone interact. energy: -2.123
local terms energy: -310.350629
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -67.594
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -79.575
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1146.208364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.208364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.208364 (E_RNA)
where:
Base-Base interactions energy: -639.946
where: short stacking energy: -252.294
Base-Backbone interact. energy: 5.583
local terms energy: -313.844985
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -69.655
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -75.256
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1119.817545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.817545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.417545 (E_RNA)
where:
Base-Base interactions energy: -642.786
where: short stacking energy: -262.381
Base-Backbone interact. energy: -1.184
local terms energy: -263.447679
where:
bonds (distance) C4'-P energy: -62.904
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -66.904
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -55.572
Dist. restrs. and SS energy: -212.400 (S_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: -966.770472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.770472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.170472 (E_RNA)
where:
Base-Base interactions energy: -519.202
where: short stacking energy: -205.939
Base-Backbone interact. energy: -1.229
local terms energy: -271.739587
where:
bonds (distance) C4'-P energy: -63.660
bonds (distance) P-C4' energy: -65.130
flat angles C4'-P-C4' energy: -59.033
flat angles P-C4'-P energy: -31.812
tors. eta vs tors. theta energy: -52.105
Dist. restrs. and SS energy: -174.600 (S_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: 282
Temperature: 0.900000
Total energy: -1438.981254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.981254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.381254 (E_RNA)
where:
Base-Base interactions energy: -857.545
where: short stacking energy: -356.957
Base-Backbone interact. energy: -2.641
local terms energy: -377.195831
where:
bonds (distance) C4'-P energy: -71.292
bonds (distance) P-C4' energy: -73.359
flat angles C4'-P-C4' energy: -79.037
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -102.014
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1401.442179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.442179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.842179 (E_RNA)
where:
Base-Base interactions energy: -858.362
where: short stacking energy: -345.315
Base-Backbone interact. energy: 3.534
local terms energy: -345.014353
where:
bonds (distance) C4'-P energy: -62.774
bonds (distance) P-C4' energy: -62.767
flat angles C4'-P-C4' energy: -84.612
flat angles P-C4'-P energy: -52.887
tors. eta vs tors. theta energy: -81.974
Dist. restrs. and SS energy: -201.600 (S_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: 282
Temperature: 1.000000
Total energy: -1396.667771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.667771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.667771 (E_RNA)
where:
Base-Base interactions energy: -824.598
where: short stacking energy: -346.848
Base-Backbone interact. energy: -0.873
local terms energy: -364.196888
where:
bonds (distance) C4'-P energy: -64.672
bonds (distance) P-C4' energy: -67.738
flat angles C4'-P-C4' energy: -74.058
flat angles P-C4'-P energy: -51.865
tors. eta vs tors. theta energy: -105.864
Dist. restrs. and SS energy: -207.000 (S_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: 282
Temperature: 1.050000
Total energy: -1320.591637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.591637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.591637 (E_RNA)
where:
Base-Base interactions energy: -767.354
where: short stacking energy: -308.111
Base-Backbone interact. energy: -0.889
local terms energy: -345.348159
where:
bonds (distance) C4'-P energy: -58.717
bonds (distance) P-C4' energy: -78.211
flat angles C4'-P-C4' energy: -71.687
flat angles P-C4'-P energy: -50.450
tors. eta vs tors. theta energy: -86.283
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1275.127702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.127702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.927702 (E_RNA)
where:
Base-Base interactions energy: -748.114
where: short stacking energy: -284.437
Base-Backbone interact. energy: 0.048
local terms energy: -312.861366
where:
bonds (distance) C4'-P energy: -51.194
bonds (distance) P-C4' energy: -69.548
flat angles C4'-P-C4' energy: -73.271
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -70.436
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1263.421871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.421871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.421871 (E_RNA)
where:
Base-Base interactions energy: -715.005
where: short stacking energy: -311.656
Base-Backbone interact. energy: -0.828
local terms energy: -340.588969
where:
bonds (distance) C4'-P energy: -66.860
bonds (distance) P-C4' energy: -67.977
flat angles C4'-P-C4' energy: -71.579
flat angles P-C4'-P energy: -47.246
tors. eta vs tors. theta energy: -86.926
Dist. restrs. and SS energy: -207.000 (S_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: 282
Temperature: 1.200000
Total energy: -1218.525303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.525303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.925303 (E_RNA)
where:
Base-Base interactions energy: -687.230
where: short stacking energy: -278.712
Base-Backbone interact. energy: -0.720
local terms energy: -328.974756
where:
bonds (distance) C4'-P energy: -59.833
bonds (distance) P-C4' energy: -66.002
flat angles C4'-P-C4' energy: -70.021
flat angles P-C4'-P energy: -45.106
tors. eta vs tors. theta energy: -88.012
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1107.993443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.993443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.993443 (E_RNA)
where:
Base-Base interactions energy: -640.575
where: short stacking energy: -273.108
Base-Backbone interact. energy: 0.937
local terms energy: -270.355362
where:
bonds (distance) C4'-P energy: -52.165
bonds (distance) P-C4' energy: -55.026
flat angles C4'-P-C4' energy: -72.669
flat angles P-C4'-P energy: -35.703
tors. eta vs tors. theta energy: -54.794
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1092.361032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.361032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.361032 (E_RNA)
where:
Base-Base interactions energy: -616.783
where: short stacking energy: -231.583
Base-Backbone interact. energy: -2.834
local terms energy: -274.743685
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -69.565
flat angles P-C4'-P energy: -53.325
tors. eta vs tors. theta energy: -52.221
Dist. restrs. and SS energy: -198.000 (S_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: 282
Temperature: 1.350000
Total energy: -976.566059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.566059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.566059 (E_RNA)
where:
Base-Base interactions energy: -545.021
where: short stacking energy: -223.963
Base-Backbone interact. energy: 1.284
local terms energy: -270.829100
where:
bonds (distance) C4'-P energy: -61.781
bonds (distance) P-C4' energy: -63.722
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -52.555
Dist. restrs. and SS energy: -162.000 (S_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: 283
Temperature: 0.900000
Total energy: -1444.877562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.877562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.277562 (E_RNA)
where:
Base-Base interactions energy: -861.997
where: short stacking energy: -360.317
Base-Backbone interact. energy: -2.468
local terms energy: -378.813293
where:
bonds (distance) C4'-P energy: -75.370
bonds (distance) P-C4' energy: -71.618
flat angles C4'-P-C4' energy: -76.596
flat angles P-C4'-P energy: -58.668
tors. eta vs tors. theta energy: -96.561
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1423.995392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.995392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.195392 (E_RNA)
where:
Base-Base interactions energy: -858.414
where: short stacking energy: -359.249
Base-Backbone interact. energy: 4.902
local terms energy: -370.683724
where:
bonds (distance) C4'-P energy: -64.666
bonds (distance) P-C4' energy: -70.612
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -54.125
tors. eta vs tors. theta energy: -96.927
Dist. restrs. and SS energy: -199.800 (S_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: 283
Temperature: 1.000000
Total energy: -1391.427734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.427734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.827734 (E_RNA)
where:
Base-Base interactions energy: -812.274
where: short stacking energy: -334.176
Base-Backbone interact. energy: -1.743
local terms energy: -375.810667
where:
bonds (distance) C4'-P energy: -74.963
bonds (distance) P-C4' energy: -69.987
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -103.671
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1323.973714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.973714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.973714 (E_RNA)
where:
Base-Base interactions energy: -792.975
where: short stacking energy: -314.299
Base-Backbone interact. energy: 0.752
local terms energy: -324.750238
where:
bonds (distance) C4'-P energy: -70.896
bonds (distance) P-C4' energy: -64.308
flat angles C4'-P-C4' energy: -63.615
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: -79.936
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1287.951655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.951655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.751655 (E_RNA)
where:
Base-Base interactions energy: -754.005
where: short stacking energy: -295.963
Base-Backbone interact. energy: -0.299
local terms energy: -319.448072
where:
bonds (distance) C4'-P energy: -59.924
bonds (distance) P-C4' energy: -66.018
flat angles C4'-P-C4' energy: -75.642
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -71.971
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1270.299636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.299636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.499636 (E_RNA)
where:
Base-Base interactions energy: -761.370
where: short stacking energy: -301.890
Base-Backbone interact. energy: 9.761
local terms energy: -318.890300
where:
bonds (distance) C4'-P energy: -66.557
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -59.193
flat angles P-C4'-P energy: -40.495
tors. eta vs tors. theta energy: -85.794
Dist. restrs. and SS energy: -199.800 (S_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: -1185.978181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.978181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.378181 (E_RNA)
where:
Base-Base interactions energy: -679.399
where: short stacking energy: -278.630
Base-Backbone interact. energy: -0.410
local terms energy: -304.569340
where:
bonds (distance) C4'-P energy: -59.920
bonds (distance) P-C4' energy: -73.400
flat angles C4'-P-C4' energy: -63.223
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -67.958
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1127.258650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.258650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.458650 (E_RNA)
where:
Base-Base interactions energy: -637.796
where: short stacking energy: -263.546
Base-Backbone interact. energy: -0.693
local terms energy: -279.969687
where:
bonds (distance) C4'-P energy: -46.264
bonds (distance) P-C4' energy: -69.051
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -60.598
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1119.835357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.835357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.235357 (E_RNA)
where:
Base-Base interactions energy: -646.856
where: short stacking energy: -252.885
Base-Backbone interact. energy: -0.035
local terms energy: -271.344413
where:
bonds (distance) C4'-P energy: -63.250
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -55.708
Dist. restrs. and SS energy: -201.600 (S_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: 283
Temperature: 1.350000
Total energy: -982.942176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.942176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.542176 (E_RNA)
where:
Base-Base interactions energy: -531.701
where: short stacking energy: -222.233
Base-Backbone interact. energy: 1.525
local terms energy: -276.366609
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -77.379
flat angles C4'-P-C4' energy: -67.354
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -48.972
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1443.197165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.197165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.397165 (E_RNA)
where:
Base-Base interactions energy: -895.735
where: short stacking energy: -347.521
Base-Backbone interact. energy: 6.380
local terms energy: -354.041837
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -79.650
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -86.698
Dist. restrs. and SS energy: -199.800 (S_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: 284
Temperature: 0.950000
Total energy: -1410.675759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.675759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.275759 (E_RNA)
where:
Base-Base interactions energy: -841.353
where: short stacking energy: -351.806
Base-Backbone interact. energy: -0.615
local terms energy: -365.307582
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -72.588
flat angles P-C4'-P energy: -59.347
tors. eta vs tors. theta energy: -94.685
Dist. restrs. and SS energy: -203.400 (S_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: 284
Temperature: 1.000000
Total energy: -1374.254972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.254972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.854972 (E_RNA)
where:
Base-Base interactions energy: -811.914
where: short stacking energy: -336.826
Base-Backbone interact. energy: 2.796
local terms energy: -361.736136
where:
bonds (distance) C4'-P energy: -67.284
bonds (distance) P-C4' energy: -78.140
flat angles C4'-P-C4' energy: -75.031
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -93.133
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1317.820693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.820693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.020693 (E_RNA)
where:
Base-Base interactions energy: -763.142
where: short stacking energy: -316.425
Base-Backbone interact. energy: -0.752
local terms energy: -345.126821
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -78.484
flat angles C4'-P-C4' energy: -80.614
flat angles P-C4'-P energy: -47.423
tors. eta vs tors. theta energy: -86.908
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1305.138428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.138428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.138428 (E_RNA)
where:
Base-Base interactions energy: -762.145
where: short stacking energy: -306.259
Base-Backbone interact. energy: -3.905
local terms energy: -323.089153
where:
bonds (distance) C4'-P energy: -63.674
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -79.393
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -75.433
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1253.792281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.792281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.392281 (E_RNA)
where:
Base-Base interactions energy: -733.635
where: short stacking energy: -285.002
Base-Backbone interact. energy: 0.077
local terms energy: -316.834684
where:
bonds (distance) C4'-P energy: -50.487
bonds (distance) P-C4' energy: -68.704
flat angles C4'-P-C4' energy: -70.813
flat angles P-C4'-P energy: -53.675
tors. eta vs tors. theta energy: -73.156
Dist. restrs. and SS energy: -203.400 (S_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: 284
Temperature: 1.200000
Total energy: -1200.754790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.754790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.354790 (E_RNA)
where:
Base-Base interactions energy: -695.827
where: short stacking energy: -277.552
Base-Backbone interact. energy: -1.535
local terms energy: -299.992341
where:
bonds (distance) C4'-P energy: -57.548
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -46.351
tors. eta vs tors. theta energy: -70.079
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1115.573207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.573207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.973207 (E_RNA)
where:
Base-Base interactions energy: -658.455
where: short stacking energy: -259.652
Base-Backbone interact. energy: -0.812
local terms energy: -245.705945
where:
bonds (distance) C4'-P energy: -48.457
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -52.261
flat angles P-C4'-P energy: -35.865
tors. eta vs tors. theta energy: -56.262
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1136.122560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.122560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.722560 (E_RNA)
where:
Base-Base interactions energy: -669.574
where: short stacking energy: -265.171
Base-Backbone interact. energy: 0.208
local terms energy: -272.356760
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -63.301
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -58.016
Dist. restrs. and SS energy: -194.400 (S_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: 284
Temperature: 1.350000
Total energy: -959.832979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.832979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.832979 (E_RNA)
where:
Base-Base interactions energy: -534.658
where: short stacking energy: -232.580
Base-Backbone interact. energy: -0.385
local terms energy: -262.789463
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -58.359
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -47.903
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1435.270096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.270096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.270096 (E_RNA)
where:
Base-Base interactions energy: -855.742
where: short stacking energy: -358.618
Base-Backbone interact. energy: -2.006
local terms energy: -379.522019
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -81.063
flat angles C4'-P-C4' energy: -78.812
flat angles P-C4'-P energy: -56.115
tors. eta vs tors. theta energy: -95.220
Dist. restrs. and SS energy: -198.000 (S_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: 285
Temperature: 0.950000
Total energy: -1414.299328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.299328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.899328 (E_RNA)
where:
Base-Base interactions energy: -849.261
where: short stacking energy: -355.142
Base-Backbone interact. energy: -4.421
local terms energy: -357.217509
where:
bonds (distance) C4'-P energy: -61.123
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -72.732
flat angles P-C4'-P energy: -55.904
tors. eta vs tors. theta energy: -100.227
Dist. restrs. and SS energy: -203.400 (S_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: 285
Temperature: 1.000000
Total energy: -1368.875038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.875038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.275038 (E_RNA)
where:
Base-Base interactions energy: -803.284
where: short stacking energy: -316.910
Base-Backbone interact. energy: -1.261
local terms energy: -362.730033
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -73.956
flat angles C4'-P-C4' energy: -79.285
flat angles P-C4'-P energy: -53.258
tors. eta vs tors. theta energy: -89.255
Dist. restrs. and SS energy: -201.600 (S_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: 285
Temperature: 1.050000
Total energy: -1305.347914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.347914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.747914 (E_RNA)
where:
Base-Base interactions energy: -744.947
where: short stacking energy: -318.944
Base-Backbone interact. energy: -2.121
local terms energy: -356.679993
where:
bonds (distance) C4'-P energy: -79.668
bonds (distance) P-C4' energy: -60.051
flat angles C4'-P-C4' energy: -69.655
flat angles P-C4'-P energy: -58.896
tors. eta vs tors. theta energy: -88.409
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1264.010755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.010755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.610755 (E_RNA)
where:
Base-Base interactions energy: -752.037
where: short stacking energy: -288.879
Base-Backbone interact. energy: -1.916
local terms energy: -297.658177
where:
bonds (distance) C4'-P energy: -55.865
bonds (distance) P-C4' energy: -62.412
flat angles C4'-P-C4' energy: -62.309
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -66.419
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1250.090159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.090159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.690159 (E_RNA)
where:
Base-Base interactions energy: -727.783
where: short stacking energy: -289.497
Base-Backbone interact. energy: -1.071
local terms energy: -317.836085
where:
bonds (distance) C4'-P energy: -62.818
bonds (distance) P-C4' energy: -66.025
flat angles C4'-P-C4' energy: -75.945
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -75.514
Dist. restrs. and SS energy: -203.400 (S_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: 285
Temperature: 1.200000
Total energy: -1184.549626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.549626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.549626 (E_RNA)
where:
Base-Base interactions energy: -685.821
where: short stacking energy: -274.356
Base-Backbone interact. energy: -2.302
local terms energy: -289.426434
where:
bonds (distance) C4'-P energy: -61.501
bonds (distance) P-C4' energy: -60.641
flat angles C4'-P-C4' energy: -66.484
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -62.022
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1131.025565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.025565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.625565 (E_RNA)
where:
Base-Base interactions energy: -644.143
where: short stacking energy: -264.272
Base-Backbone interact. energy: -0.584
local terms energy: -282.898575
where:
bonds (distance) C4'-P energy: -59.702
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: -74.997
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1052.779941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.779941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.579941 (E_RNA)
where:
Base-Base interactions energy: -590.631
where: short stacking energy: -238.735
Base-Backbone interact. energy: 4.740
local terms energy: -270.689492
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -51.026
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -59.578
Dist. restrs. and SS energy: -196.200 (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: 285
Temperature: 1.350000
Total energy: -961.557606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.557606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.957606 (E_RNA)
where:
Base-Base interactions energy: -506.717
where: short stacking energy: -201.371
Base-Backbone interact. energy: -0.015
local terms energy: -289.225759
where:
bonds (distance) C4'-P energy: -68.188
bonds (distance) P-C4' energy: -74.024
flat angles C4'-P-C4' energy: -59.752
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -52.804
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1450.880059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.880059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.280059 (E_RNA)
where:
Base-Base interactions energy: -856.767
where: short stacking energy: -354.548
Base-Backbone interact. energy: 5.643
local terms energy: -398.156778
where:
bonds (distance) C4'-P energy: -72.324
bonds (distance) P-C4' energy: -78.575
flat angles C4'-P-C4' energy: -89.336
flat angles P-C4'-P energy: -63.469
tors. eta vs tors. theta energy: -94.453
Dist. restrs. and SS energy: -201.600 (S_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: 286
Temperature: 0.950000
Total energy: -1423.625512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.625512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.025512 (E_RNA)
where:
Base-Base interactions energy: -843.807
where: short stacking energy: -346.423
Base-Backbone interact. energy: -3.660
local terms energy: -374.558243
where:
bonds (distance) C4'-P energy: -66.488
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -87.635
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -91.183
Dist. restrs. and SS energy: -201.600 (S_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: 286
Temperature: 1.000000
Total energy: -1380.887373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.887373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.687373 (E_RNA)
where:
Base-Base interactions energy: -805.974
where: short stacking energy: -340.406
Base-Backbone interact. energy: 0.207
local terms energy: -369.920461
where:
bonds (distance) C4'-P energy: -74.060
bonds (distance) P-C4' energy: -74.320
flat angles C4'-P-C4' energy: -72.799
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -95.036
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1304.160909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.160909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.160909 (E_RNA)
where:
Base-Base interactions energy: -763.772
where: short stacking energy: -330.449
Base-Backbone interact. energy: 0.533
local terms energy: -333.921860
where:
bonds (distance) C4'-P energy: -72.287
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -78.004
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -81.929
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1284.642106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.642106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.642106 (E_RNA)
where:
Base-Base interactions energy: -760.620
where: short stacking energy: -291.348
Base-Backbone interact. energy: -0.494
local terms energy: -316.527744
where:
bonds (distance) C4'-P energy: -56.866
bonds (distance) P-C4' energy: -72.894
flat angles C4'-P-C4' energy: -67.237
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -66.924
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1295.194846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.194846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.594846 (E_RNA)
where:
Base-Base interactions energy: -776.489
where: short stacking energy: -299.413
Base-Backbone interact. energy: 0.279
local terms energy: -317.385430
where:
bonds (distance) C4'-P energy: -61.790
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -64.523
flat angles P-C4'-P energy: -46.600
tors. eta vs tors. theta energy: -76.552
Dist. restrs. and SS energy: -201.600 (S_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: 286
Temperature: 1.200000
Total energy: -1167.029953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.029953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.829953 (E_RNA)
where:
Base-Base interactions energy: -680.729
where: short stacking energy: -290.887
Base-Backbone interact. energy: -0.455
local terms energy: -280.646793
where:
bonds (distance) C4'-P energy: -50.976
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -71.684
flat angles P-C4'-P energy: -37.788
tors. eta vs tors. theta energy: -70.854
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1151.977071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.977071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.977071 (E_RNA)
where:
Base-Base interactions energy: -648.470
where: short stacking energy: -250.794
Base-Backbone interact. energy: -2.888
local terms energy: -302.618667
where:
bonds (distance) C4'-P energy: -67.374
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -77.345
flat angles P-C4'-P energy: -44.195
tors. eta vs tors. theta energy: -61.680
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1053.812896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.812896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.212896 (E_RNA)
where:
Base-Base interactions energy: -589.482
where: short stacking energy: -253.640
Base-Backbone interact. energy: -0.940
local terms energy: -288.790693
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -55.267
flat angles C4'-P-C4' energy: -68.563
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -66.405
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -979.487846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.487846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.687846 (E_RNA)
where:
Base-Base interactions energy: -520.276
where: short stacking energy: -222.075
Base-Backbone interact. energy: -0.913
local terms energy: -285.499246
where:
bonds (distance) C4'-P energy: -46.593
bonds (distance) P-C4' energy: -67.623
flat angles C4'-P-C4' energy: -66.939
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -53.394
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1445.345462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.345462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.545462 (E_RNA)
where:
Base-Base interactions energy: -883.594
where: short stacking energy: -358.955
Base-Backbone interact. energy: 1.349
local terms energy: -363.300732
where:
bonds (distance) C4'-P energy: -71.285
bonds (distance) P-C4' energy: -68.195
flat angles C4'-P-C4' energy: -76.672
flat angles P-C4'-P energy: -51.263
tors. eta vs tors. theta energy: -95.885
Dist. restrs. and SS energy: -199.800 (S_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: 287
Temperature: 0.950000
Total energy: -1430.601396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.601396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.001396 (E_RNA)
where:
Base-Base interactions energy: -851.388
where: short stacking energy: -359.274
Base-Backbone interact. energy: -2.890
local terms energy: -374.723836
where:
bonds (distance) C4'-P energy: -76.167
bonds (distance) P-C4' energy: -68.977
flat angles C4'-P-C4' energy: -77.307
flat angles P-C4'-P energy: -50.064
tors. eta vs tors. theta energy: -102.209
Dist. restrs. and SS energy: -201.600 (S_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: 287
Temperature: 1.000000
Total energy: -1392.224650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.224650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.024650 (E_RNA)
where:
Base-Base interactions energy: -824.180
where: short stacking energy: -339.841
Base-Backbone interact. energy: 0.339
local terms energy: -363.184017
where:
bonds (distance) C4'-P energy: -66.769
bonds (distance) P-C4' energy: -69.589
flat angles C4'-P-C4' energy: -74.725
flat angles P-C4'-P energy: -51.447
tors. eta vs tors. theta energy: -100.654
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1297.720414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.720414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.320414 (E_RNA)
where:
Base-Base interactions energy: -739.444
where: short stacking energy: -305.531
Base-Backbone interact. energy: -0.943
local terms energy: -353.934252
where:
bonds (distance) C4'-P energy: -73.169
bonds (distance) P-C4' energy: -75.563
flat angles C4'-P-C4' energy: -74.380
flat angles P-C4'-P energy: -51.212
tors. eta vs tors. theta energy: -79.611
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1253.785315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.785315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.585315 (E_RNA)
where:
Base-Base interactions energy: -725.418
where: short stacking energy: -280.148
Base-Backbone interact. energy: 0.237
local terms energy: -323.404975
where:
bonds (distance) C4'-P energy: -62.999
bonds (distance) P-C4' energy: -77.562
flat angles C4'-P-C4' energy: -62.632
flat angles P-C4'-P energy: -51.673
tors. eta vs tors. theta energy: -68.539
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1263.787945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.787945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.387945 (E_RNA)
where:
Base-Base interactions energy: -737.454
where: short stacking energy: -307.566
Base-Backbone interact. energy: -2.162
local terms energy: -320.771904
where:
bonds (distance) C4'-P energy: -71.240
bonds (distance) P-C4' energy: -55.631
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -43.224
tors. eta vs tors. theta energy: -82.276
Dist. restrs. and SS energy: -203.400 (S_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: 287
Temperature: 1.200000
Total energy: -1174.957736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.957736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.157736 (E_RNA)
where:
Base-Base interactions energy: -667.315
where: short stacking energy: -273.694
Base-Backbone interact. energy: 0.153
local terms energy: -298.995995
where:
bonds (distance) C4'-P energy: -50.665
bonds (distance) P-C4' energy: -76.047
flat angles C4'-P-C4' energy: -68.396
flat angles P-C4'-P energy: -40.342
tors. eta vs tors. theta energy: -63.546
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1156.299376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.299376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.499376 (E_RNA)
where:
Base-Base interactions energy: -665.060
where: short stacking energy: -263.954
Base-Backbone interact. energy: 0.628
local terms energy: -301.066729
where:
bonds (distance) C4'-P energy: -65.676
bonds (distance) P-C4' energy: -72.644
flat angles C4'-P-C4' energy: -57.579
flat angles P-C4'-P energy: -37.790
tors. eta vs tors. theta energy: -67.377
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1072.750155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.750155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.750155 (E_RNA)
where:
Base-Base interactions energy: -601.642
where: short stacking energy: -243.791
Base-Backbone interact. energy: -0.567
local terms energy: -281.541065
where:
bonds (distance) C4'-P energy: -61.722
bonds (distance) P-C4' energy: -73.894
flat angles C4'-P-C4' energy: -60.549
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1006.333484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.333484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.333484 (E_RNA)
where:
Base-Base interactions energy: -572.486
where: short stacking energy: -228.672
Base-Backbone interact. energy: 0.410
local terms energy: -263.258025
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -64.680
flat angles C4'-P-C4' energy: -67.909
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -46.814
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1469.672273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.672273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.872273 (E_RNA)
where:
Base-Base interactions energy: -899.502
where: short stacking energy: -356.304
Base-Backbone interact. energy: -2.977
local terms energy: -367.393106
where:
bonds (distance) C4'-P energy: -71.763
bonds (distance) P-C4' energy: -65.653
flat angles C4'-P-C4' energy: -85.167
flat angles P-C4'-P energy: -48.543
tors. eta vs tors. theta energy: -96.267
Dist. restrs. and SS energy: -199.800 (S_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: 288
Temperature: 0.950000
Total energy: -1416.685661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.685661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.685661 (E_RNA)
where:
Base-Base interactions energy: -829.781
where: short stacking energy: -338.325
Base-Backbone interact. energy: -4.326
local terms energy: -384.578567
where:
bonds (distance) C4'-P energy: -72.341
bonds (distance) P-C4' energy: -79.427
flat angles C4'-P-C4' energy: -83.292
flat angles P-C4'-P energy: -60.995
tors. eta vs tors. theta energy: -88.523
Dist. restrs. and SS energy: -198.000 (S_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: 288
Temperature: 1.000000
Total energy: -1375.253114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.253114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.253114 (E_RNA)
where:
Base-Base interactions energy: -814.148
where: short stacking energy: -325.478
Base-Backbone interact. energy: -0.951
local terms energy: -353.154444
where:
bonds (distance) C4'-P energy: -55.893
bonds (distance) P-C4' energy: -69.233
flat angles C4'-P-C4' energy: -77.871
flat angles P-C4'-P energy: -54.562
tors. eta vs tors. theta energy: -95.595
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1303.062378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.062378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.462378 (E_RNA)
where:
Base-Base interactions energy: -772.587
where: short stacking energy: -329.557
Base-Backbone interact. energy: -2.440
local terms energy: -326.434879
where:
bonds (distance) C4'-P energy: -70.436
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -88.735
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1307.298384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.298384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.898384 (E_RNA)
where:
Base-Base interactions energy: -773.449
where: short stacking energy: -297.098
Base-Backbone interact. energy: -2.245
local terms energy: -328.204440
where:
bonds (distance) C4'-P energy: -57.420
bonds (distance) P-C4' energy: -62.143
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -44.467
tors. eta vs tors. theta energy: -86.197
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1244.610214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.610214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.210214 (E_RNA)
where:
Base-Base interactions energy: -742.591
where: short stacking energy: -280.809
Base-Backbone interact. energy: -2.467
local terms energy: -287.152421
where:
bonds (distance) C4'-P energy: -56.350
bonds (distance) P-C4' energy: -58.690
flat angles C4'-P-C4' energy: -63.197
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -70.514
Dist. restrs. and SS energy: -212.400 (S_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: 288
Temperature: 1.200000
Total energy: -1178.331049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.331049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.731049 (E_RNA)
where:
Base-Base interactions energy: -645.985
where: short stacking energy: -253.459
Base-Backbone interact. energy: -0.791
local terms energy: -320.955330
where:
bonds (distance) C4'-P energy: -79.725
bonds (distance) P-C4' energy: -60.024
flat angles C4'-P-C4' energy: -75.653
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -60.178
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1131.023215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.023215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.023215 (E_RNA)
where:
Base-Base interactions energy: -650.485
where: short stacking energy: -263.802
Base-Backbone interact. energy: -2.507
local terms energy: -280.031155
where:
bonds (distance) C4'-P energy: -69.420
bonds (distance) P-C4' energy: -66.512
flat angles C4'-P-C4' energy: -58.683
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -56.516
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1031.312537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.312537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.712537 (E_RNA)
where:
Base-Base interactions energy: -581.943
where: short stacking energy: -234.871
Base-Backbone interact. energy: -2.023
local terms energy: -263.746680
where:
bonds (distance) C4'-P energy: -47.037
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -73.785
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -44.695
Dist. restrs. and SS energy: -183.600 (S_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: 288
Temperature: 1.350000
Total energy: -952.776785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.776785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.576785 (E_RNA)
where:
Base-Base interactions energy: -534.877
where: short stacking energy: -226.475
Base-Backbone interact. energy: -0.544
local terms energy: -257.156253
where:
bonds (distance) C4'-P energy: -66.471
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -50.153
flat angles P-C4'-P energy: -43.574
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1449.943255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.943255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.143255 (E_RNA)
where:
Base-Base interactions energy: -857.639
where: short stacking energy: -330.493
Base-Backbone interact. energy: -4.298
local terms energy: -388.206476
where:
bonds (distance) C4'-P energy: -78.757
bonds (distance) P-C4' energy: -74.765
flat angles C4'-P-C4' energy: -87.448
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -88.107
Dist. restrs. and SS energy: -199.800 (S_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: 289
Temperature: 0.950000
Total energy: -1423.064389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.064389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.664389 (E_RNA)
where:
Base-Base interactions energy: -820.689
where: short stacking energy: -347.457
Base-Backbone interact. energy: -0.134
local terms energy: -407.841431
where:
bonds (distance) C4'-P energy: -87.030
bonds (distance) P-C4' energy: -84.612
flat angles C4'-P-C4' energy: -85.454
flat angles P-C4'-P energy: -62.945
tors. eta vs tors. theta energy: -87.801
Dist. restrs. and SS energy: -194.400 (S_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: 289
Temperature: 1.000000
Total energy: -1373.400319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.400319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.200319 (E_RNA)
where:
Base-Base interactions energy: -821.672
where: short stacking energy: -339.173
Base-Backbone interact. energy: -0.382
local terms energy: -346.146776
where:
bonds (distance) C4'-P energy: -69.207
bonds (distance) P-C4' energy: -59.261
flat angles C4'-P-C4' energy: -70.108
flat angles P-C4'-P energy: -53.986
tors. eta vs tors. theta energy: -93.585
Dist. restrs. and SS energy: -205.200 (S_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: 289
Temperature: 1.050000
Total energy: -1315.093811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.093811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.893811 (E_RNA)
where:
Base-Base interactions energy: -759.961
where: short stacking energy: -321.386
Base-Backbone interact. energy: -2.207
local terms energy: -347.726665
where:
bonds (distance) C4'-P energy: -62.247
bonds (distance) P-C4' energy: -66.522
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -92.186
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1290.305606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.305606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.305606 (E_RNA)
where:
Base-Base interactions energy: -744.297
where: short stacking energy: -318.426
Base-Backbone interact. energy: -1.558
local terms energy: -337.449824
where:
bonds (distance) C4'-P energy: -63.641
bonds (distance) P-C4' energy: -64.332
flat angles C4'-P-C4' energy: -69.938
flat angles P-C4'-P energy: -55.217
tors. eta vs tors. theta energy: -84.323
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1265.751068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.751068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.151068 (E_RNA)
where:
Base-Base interactions energy: -756.563
where: short stacking energy: -302.388
Base-Backbone interact. energy: -1.716
local terms energy: -296.872675
where:
bonds (distance) C4'-P energy: -44.207
bonds (distance) P-C4' energy: -59.034
flat angles C4'-P-C4' energy: -77.615
flat angles P-C4'-P energy: -50.031
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: -210.600 (S_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: 289
Temperature: 1.200000
Total energy: -1179.561677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.561677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.561677 (E_RNA)
where:
Base-Base interactions energy: -695.688
where: short stacking energy: -291.767
Base-Backbone interact. energy: -3.157
local terms energy: -282.717344
where:
bonds (distance) C4'-P energy: -63.106
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -61.038
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -66.385
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1122.217031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.217031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.617031 (E_RNA)
where:
Base-Base interactions energy: -636.096
where: short stacking energy: -237.584
Base-Backbone interact. energy: -0.695
local terms energy: -283.826025
where:
bonds (distance) C4'-P energy: -57.708
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -53.700
tors. eta vs tors. theta energy: -54.319
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1023.267539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.267539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.467539 (E_RNA)
where:
Base-Base interactions energy: -583.753
where: short stacking energy: -245.558
Base-Backbone interact. energy: 3.911
local terms energy: -261.624888
where:
bonds (distance) C4'-P energy: -58.680
bonds (distance) P-C4' energy: -56.168
flat angles C4'-P-C4' energy: -68.192
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -41.611
Dist. restrs. and SS energy: -181.800 (S_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: 289
Temperature: 1.350000
Total energy: -984.173534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.173534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.773534 (E_RNA)
where:
Base-Base interactions energy: -556.882
where: short stacking energy: -233.380
Base-Backbone interact. energy: -0.553
local terms energy: -259.338307
where:
bonds (distance) C4'-P energy: -61.762
bonds (distance) P-C4' energy: -50.164
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -60.350
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1462.269166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.269166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.269166 (E_RNA)
where:
Base-Base interactions energy: -881.597
where: short stacking energy: -361.206
Base-Backbone interact. energy: 2.910
local terms energy: -385.581993
where:
bonds (distance) C4'-P energy: -74.788
bonds (distance) P-C4' energy: -77.498
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -53.967
tors. eta vs tors. theta energy: -102.265
Dist. restrs. and SS energy: -198.000 (S_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: 290
Temperature: 0.950000
Total energy: -1396.377155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.377155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.777155 (E_RNA)
where:
Base-Base interactions energy: -834.732
where: short stacking energy: -362.763
Base-Backbone interact. energy: 1.372
local terms energy: -361.416903
where:
bonds (distance) C4'-P energy: -69.370
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -46.671
tors. eta vs tors. theta energy: -92.999
Dist. restrs. and SS energy: -201.600 (S_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: 290
Temperature: 1.000000
Total energy: -1388.523136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.523136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.323136 (E_RNA)
where:
Base-Base interactions energy: -799.246
where: short stacking energy: -349.102
Base-Backbone interact. energy: -1.714
local terms energy: -382.363521
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -78.569
flat angles P-C4'-P energy: -60.321
tors. eta vs tors. theta energy: -107.363
Dist. restrs. and SS energy: -205.200 (S_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: 290
Temperature: 1.050000
Total energy: -1338.048628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.048628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.848628 (E_RNA)
where:
Base-Base interactions energy: -769.446
where: short stacking energy: -342.446
Base-Backbone interact. energy: -2.413
local terms energy: -360.988957
where:
bonds (distance) C4'-P energy: -63.313
bonds (distance) P-C4' energy: -72.938
flat angles C4'-P-C4' energy: -77.032
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -97.659
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1270.466860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.466860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.466860 (E_RNA)
where:
Base-Base interactions energy: -738.525
where: short stacking energy: -305.366
Base-Backbone interact. energy: -1.206
local terms energy: -332.735620
where:
bonds (distance) C4'-P energy: -58.533
bonds (distance) P-C4' energy: -69.675
flat angles C4'-P-C4' energy: -71.819
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -91.388
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1251.682262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.682262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.282262 (E_RNA)
where:
Base-Base interactions energy: -733.393
where: short stacking energy: -281.043
Base-Backbone interact. energy: 4.525
local terms energy: -310.413881
where:
bonds (distance) C4'-P energy: -63.722
bonds (distance) P-C4' energy: -70.260
flat angles C4'-P-C4' energy: -66.199
flat angles P-C4'-P energy: -49.206
tors. eta vs tors. theta energy: -61.026
Dist. restrs. and SS energy: -212.400 (S_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: 290
Temperature: 1.200000
Total energy: -1171.714723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.714723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.314723 (E_RNA)
where:
Base-Base interactions energy: -648.034
where: short stacking energy: -254.647
Base-Backbone interact. energy: 1.775
local terms energy: -313.055738
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -70.000
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -66.482
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1153.471488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.471488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.671488 (E_RNA)
where:
Base-Base interactions energy: -657.454
where: short stacking energy: -259.071
Base-Backbone interact. energy: -0.267
local terms energy: -286.950033
where:
bonds (distance) C4'-P energy: -62.096
bonds (distance) P-C4' energy: -62.612
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -60.417
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1031.259668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.259668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.059668 (E_RNA)
where:
Base-Base interactions energy: -579.519
where: short stacking energy: -234.220
Base-Backbone interact. energy: -1.441
local terms energy: -263.099419
where:
bonds (distance) C4'-P energy: -49.633
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -52.501
flat angles P-C4'-P energy: -49.255
tors. eta vs tors. theta energy: -51.767
Dist. restrs. and SS energy: -187.200 (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: 290
Temperature: 1.350000
Total energy: -964.805465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.805465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.205465 (E_RNA)
where:
Base-Base interactions energy: -529.275
where: short stacking energy: -218.512
Base-Backbone interact. energy: 0.222
local terms energy: -270.152970
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -67.811
flat angles C4'-P-C4' energy: -54.960
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1472.768842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.768842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.168842 (E_RNA)
where:
Base-Base interactions energy: -877.847
where: short stacking energy: -357.709
Base-Backbone interact. energy: 3.622
local terms energy: -405.943493
where:
bonds (distance) C4'-P energy: -83.935
bonds (distance) P-C4' energy: -72.852
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -61.411
tors. eta vs tors. theta energy: -103.908
Dist. restrs. and SS energy: -192.600 (S_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: 291
Temperature: 0.950000
Total energy: -1385.938562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.938562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.138562 (E_RNA)
where:
Base-Base interactions energy: -834.890
where: short stacking energy: -334.160
Base-Backbone interact. energy: -2.189
local terms energy: -349.059190
where:
bonds (distance) C4'-P energy: -57.420
bonds (distance) P-C4' energy: -76.075
flat angles C4'-P-C4' energy: -72.722
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -88.463
Dist. restrs. and SS energy: -199.800 (S_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: 291
Temperature: 1.000000
Total energy: -1394.985947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.985947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.185947 (E_RNA)
where:
Base-Base interactions energy: -828.603
where: short stacking energy: -345.719
Base-Backbone interact. energy: -0.590
local terms energy: -365.992434
where:
bonds (distance) C4'-P energy: -73.099
bonds (distance) P-C4' energy: -66.362
flat angles C4'-P-C4' energy: -79.410
flat angles P-C4'-P energy: -50.787
tors. eta vs tors. theta energy: -96.335
Dist. restrs. and SS energy: -199.800 (S_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: -1326.520268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.520268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.120268 (E_RNA)
where:
Base-Base interactions energy: -776.751
where: short stacking energy: -324.478
Base-Backbone interact. energy: 0.062
local terms energy: -346.430991
where:
bonds (distance) C4'-P energy: -73.064
bonds (distance) P-C4' energy: -59.976
flat angles C4'-P-C4' energy: -71.978
flat angles P-C4'-P energy: -55.546
tors. eta vs tors. theta energy: -85.867
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1254.947837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.947837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.147837 (E_RNA)
where:
Base-Base interactions energy: -725.960
where: short stacking energy: -302.726
Base-Backbone interact. energy: -2.512
local terms energy: -317.675311
where:
bonds (distance) C4'-P energy: -62.850
bonds (distance) P-C4' energy: -59.479
flat angles C4'-P-C4' energy: -77.023
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -79.949
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1263.435490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.435490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.035490 (E_RNA)
where:
Base-Base interactions energy: -725.571
where: short stacking energy: -273.690
Base-Backbone interact. energy: -2.200
local terms energy: -323.264686
where:
bonds (distance) C4'-P energy: -67.437
bonds (distance) P-C4' energy: -71.691
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -62.627
Dist. restrs. and SS energy: -212.400 (S_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: 291
Temperature: 1.200000
Total energy: -1176.070037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.070037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.070037 (E_RNA)
where:
Base-Base interactions energy: -663.062
where: short stacking energy: -268.378
Base-Backbone interact. energy: -1.287
local terms energy: -304.721157
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -69.651
flat angles C4'-P-C4' energy: -73.063
flat angles P-C4'-P energy: -48.540
tors. eta vs tors. theta energy: -66.462
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1191.516233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.516233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.316233 (E_RNA)
where:
Base-Base interactions energy: -687.390
where: short stacking energy: -283.658
Base-Backbone interact. energy: -0.988
local terms energy: -288.938759
where:
bonds (distance) C4'-P energy: -62.043
bonds (distance) P-C4' energy: -53.527
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -70.545
Dist. restrs. and SS energy: -214.200 (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: 291
Temperature: 1.300000
Total energy: -1101.396138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.396138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.396138 (E_RNA)
where:
Base-Base interactions energy: -613.444
where: short stacking energy: -248.091
Base-Backbone interact. energy: 1.833
local terms energy: -291.785062
where:
bonds (distance) C4'-P energy: -63.525
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -74.224
flat angles P-C4'-P energy: -37.573
tors. eta vs tors. theta energy: -53.610
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -980.850823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.850823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.450823 (E_RNA)
where:
Base-Base interactions energy: -540.423
where: short stacking energy: -233.212
Base-Backbone interact. energy: -0.672
local terms energy: -272.355189
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -53.576
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -60.627
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1466.517769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.517769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.517769 (E_RNA)
where:
Base-Base interactions energy: -879.782
where: short stacking energy: -358.106
Base-Backbone interact. energy: -1.479
local terms energy: -387.256943
where:
bonds (distance) C4'-P energy: -76.986
bonds (distance) P-C4' energy: -69.939
flat angles C4'-P-C4' energy: -81.989
flat angles P-C4'-P energy: -56.840
tors. eta vs tors. theta energy: -101.504
Dist. restrs. and SS energy: -198.000 (S_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: 292
Temperature: 0.950000
Total energy: -1401.215929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.215929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.615929 (E_RNA)
where:
Base-Base interactions energy: -821.860
where: short stacking energy: -327.051
Base-Backbone interact. energy: -3.596
local terms energy: -374.159966
where:
bonds (distance) C4'-P energy: -73.222
bonds (distance) P-C4' energy: -65.842
flat angles C4'-P-C4' energy: -84.666
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: -91.429
Dist. restrs. and SS energy: -201.600 (S_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: 292
Temperature: 1.000000
Total energy: -1428.443209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.443209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.643209 (E_RNA)
where:
Base-Base interactions energy: -833.097
where: short stacking energy: -344.866
Base-Backbone interact. energy: -1.203
local terms energy: -385.342477
where:
bonds (distance) C4'-P energy: -80.826
bonds (distance) P-C4' energy: -71.316
flat angles C4'-P-C4' energy: -78.228
flat angles P-C4'-P energy: -60.742
tors. eta vs tors. theta energy: -94.229
Dist. restrs. and SS energy: -208.800 (S_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: 292
Temperature: 1.050000
Total energy: -1346.492580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.492580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.292580 (E_RNA)
where:
Base-Base interactions energy: -790.692
where: short stacking energy: -334.520
Base-Backbone interact. energy: -2.936
local terms energy: -347.664218
where:
bonds (distance) C4'-P energy: -63.371
bonds (distance) P-C4' energy: -63.958
flat angles C4'-P-C4' energy: -74.575
flat angles P-C4'-P energy: -50.525
tors. eta vs tors. theta energy: -95.235
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1280.157578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.157578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.757578 (E_RNA)
where:
Base-Base interactions energy: -737.607
where: short stacking energy: -298.400
Base-Backbone interact. energy: -5.029
local terms energy: -325.121949
where:
bonds (distance) C4'-P energy: -67.372
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -51.505
tors. eta vs tors. theta energy: -74.575
Dist. restrs. and SS energy: -212.400 (S_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: 292
Temperature: 1.150000
Total energy: -1230.420273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.420273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.420273 (E_RNA)
where:
Base-Base interactions energy: -697.651
where: short stacking energy: -290.438
Base-Backbone interact. energy: -2.111
local terms energy: -323.658955
where:
bonds (distance) C4'-P energy: -69.227
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -71.185
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -77.473
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1243.877715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.877715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.677715 (E_RNA)
where:
Base-Base interactions energy: -713.390
where: short stacking energy: -303.755
Base-Backbone interact. energy: -3.666
local terms energy: -312.621397
where:
bonds (distance) C4'-P energy: -58.441
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -74.904
flat angles P-C4'-P energy: -55.437
tors. eta vs tors. theta energy: -74.601
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1172.627856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.627856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.227856 (E_RNA)
where:
Base-Base interactions energy: -656.638
where: short stacking energy: -257.916
Base-Backbone interact. energy: 1.597
local terms energy: -314.186746
where:
bonds (distance) C4'-P energy: -67.609
bonds (distance) P-C4' energy: -75.957
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -65.021
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1106.118324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.118324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.718324 (E_RNA)
where:
Base-Base interactions energy: -634.098
where: short stacking energy: -256.564
Base-Backbone interact. energy: 0.381
local terms energy: -269.001307
where:
bonds (distance) C4'-P energy: -49.899
bonds (distance) P-C4' energy: -47.901
flat angles C4'-P-C4' energy: -58.683
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -65.769
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -951.572259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.572259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.572259 (E_RNA)
where:
Base-Base interactions energy: -510.967
where: short stacking energy: -220.891
Base-Backbone interact. energy: 5.924
local terms energy: -275.529664
where:
bonds (distance) C4'-P energy: -62.183
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -52.007
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1443.005511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.005511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.005511 (E_RNA)
where:
Base-Base interactions energy: -873.893
where: short stacking energy: -361.910
Base-Backbone interact. energy: -0.285
local terms energy: -370.827380
where:
bonds (distance) C4'-P energy: -72.083
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -76.910
flat angles P-C4'-P energy: -51.669
tors. eta vs tors. theta energy: -103.817
Dist. restrs. and SS energy: -198.000 (S_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: 293
Temperature: 0.950000
Total energy: -1399.497511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.497511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.497511 (E_RNA)
where:
Base-Base interactions energy: -846.775
where: short stacking energy: -352.197
Base-Backbone interact. energy: 0.840
local terms energy: -355.562636
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -70.962
flat angles C4'-P-C4' energy: -76.243
flat angles P-C4'-P energy: -53.414
tors. eta vs tors. theta energy: -87.297
Dist. restrs. and SS energy: -198.000 (S_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: 293
Temperature: 1.000000
Total energy: -1379.587744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.587744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.587744 (E_RNA)
where:
Base-Base interactions energy: -809.788
where: short stacking energy: -330.098
Base-Backbone interact. energy: 1.403
local terms energy: -364.203241
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -71.324
flat angles C4'-P-C4' energy: -82.854
flat angles P-C4'-P energy: -50.806
tors. eta vs tors. theta energy: -90.930
Dist. restrs. and SS energy: -207.000 (S_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: 293
Temperature: 1.050000
Total energy: -1311.416471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.416471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.416471 (E_RNA)
where:
Base-Base interactions energy: -771.714
where: short stacking energy: -327.446
Base-Backbone interact. energy: -2.376
local terms energy: -330.327202
where:
bonds (distance) C4'-P energy: -57.867
bonds (distance) P-C4' energy: -71.836
flat angles C4'-P-C4' energy: -70.780
flat angles P-C4'-P energy: -44.190
tors. eta vs tors. theta energy: -85.654
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1257.736428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.736428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.936428 (E_RNA)
where:
Base-Base interactions energy: -702.243
where: short stacking energy: -278.662
Base-Backbone interact. energy: 0.843
local terms energy: -347.537237
where:
bonds (distance) C4'-P energy: -62.826
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -72.028
flat angles P-C4'-P energy: -58.061
tors. eta vs tors. theta energy: -83.701
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1255.493427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.493427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.093427 (E_RNA)
where:
Base-Base interactions energy: -725.983
where: short stacking energy: -303.282
Base-Backbone interact. energy: -3.243
local terms energy: -313.867792
where:
bonds (distance) C4'-P energy: -59.365
bonds (distance) P-C4' energy: -56.930
flat angles C4'-P-C4' energy: -72.228
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -84.364
Dist. restrs. and SS energy: -212.400 (S_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: 293
Temperature: 1.200000
Total energy: -1179.842213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.842213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.442213 (E_RNA)
where:
Base-Base interactions energy: -678.882
where: short stacking energy: -265.906
Base-Backbone interact. energy: 2.733
local terms energy: -300.293583
where:
bonds (distance) C4'-P energy: -68.616
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -46.718
tors. eta vs tors. theta energy: -70.248
Dist. restrs. and SS energy: -203.400 (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: 293
Temperature: 1.250000
Total energy: -1164.795086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.795086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.595086 (E_RNA)
where:
Base-Base interactions energy: -665.788
where: short stacking energy: -267.697
Base-Backbone interact. energy: -2.157
local terms energy: -291.649929
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -64.992
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: -205.200 (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: 293
Temperature: 1.300000
Total energy: -1096.622589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.622589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.022589 (E_RNA)
where:
Base-Base interactions energy: -636.116
where: short stacking energy: -249.531
Base-Backbone interact. energy: -0.519
local terms energy: -258.388289
where:
bonds (distance) C4'-P energy: -39.922
bonds (distance) P-C4' energy: -62.154
flat angles C4'-P-C4' energy: -65.073
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -57.650
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -948.639609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.639609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.839609 (E_RNA)
where:
Base-Base interactions energy: -525.709
where: short stacking energy: -215.765
Base-Backbone interact. energy: -0.290
local terms energy: -249.840780
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -57.168
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -33.683
tors. eta vs tors. theta energy: -35.174
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1448.778614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.778614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.778614 (E_RNA)
where:
Base-Base interactions energy: -860.188
where: short stacking energy: -331.476
Base-Backbone interact. energy: -2.140
local terms energy: -388.450409
where:
bonds (distance) C4'-P energy: -79.816
bonds (distance) P-C4' energy: -76.051
flat angles C4'-P-C4' energy: -88.739
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: -91.258
Dist. restrs. and SS energy: -198.000 (S_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: 294
Temperature: 0.950000
Total energy: -1397.762465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.762465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.362465 (E_RNA)
where:
Base-Base interactions energy: -827.548
where: short stacking energy: -344.338
Base-Backbone interact. energy: -2.990
local terms energy: -363.824419
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -70.371
flat angles C4'-P-C4' energy: -83.569
flat angles P-C4'-P energy: -58.357
tors. eta vs tors. theta energy: -84.929
Dist. restrs. and SS energy: -203.400 (S_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: 294
Temperature: 1.000000
Total energy: -1371.077490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.077490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.277490 (E_RNA)
where:
Base-Base interactions energy: -805.190
where: short stacking energy: -332.411
Base-Backbone interact. energy: -1.815
local terms energy: -355.272878
where:
bonds (distance) C4'-P energy: -74.746
bonds (distance) P-C4' energy: -69.122
flat angles C4'-P-C4' energy: -78.324
flat angles P-C4'-P energy: -49.332
tors. eta vs tors. theta energy: -83.748
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1305.758376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.758376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.158376 (E_RNA)
where:
Base-Base interactions energy: -750.137
where: short stacking energy: -323.703
Base-Backbone interact. energy: 2.977
local terms energy: -356.998455
where:
bonds (distance) C4'-P energy: -64.004
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -84.339
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: -87.485
Dist. restrs. and SS energy: -201.600 (S_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: 294
Temperature: 1.100000
Total energy: -1319.798644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.798644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.398644 (E_RNA)
where:
Base-Base interactions energy: -765.103
where: short stacking energy: -312.848
Base-Backbone interact. energy: 2.806
local terms energy: -345.101997
where:
bonds (distance) C4'-P energy: -61.069
bonds (distance) P-C4' energy: -69.991
flat angles C4'-P-C4' energy: -78.851
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -88.568
Dist. restrs. and SS energy: -212.400 (S_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: 294
Temperature: 1.150000
Total energy: -1238.494497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.494497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.094497 (E_RNA)
where:
Base-Base interactions energy: -709.509
where: short stacking energy: -300.510
Base-Backbone interact. energy: -1.834
local terms energy: -314.751178
where:
bonds (distance) C4'-P energy: -63.240
bonds (distance) P-C4' energy: -56.591
flat angles C4'-P-C4' energy: -68.106
flat angles P-C4'-P energy: -47.388
tors. eta vs tors. theta energy: -79.427
Dist. restrs. and SS energy: -212.400 (S_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: 294
Temperature: 1.200000
Total energy: -1175.198881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.198881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.598881 (E_RNA)
where:
Base-Base interactions energy: -675.047
where: short stacking energy: -278.580
Base-Backbone interact. energy: 0.082
local terms energy: -307.633441
where:
bonds (distance) C4'-P energy: -57.404
bonds (distance) P-C4' energy: -62.003
flat angles C4'-P-C4' energy: -74.630
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -75.775
Dist. restrs. and SS energy: -192.600 (S_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: 294
Temperature: 1.250000
Total energy: -1124.993145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.993145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.993145 (E_RNA)
where:
Base-Base interactions energy: -635.523
where: short stacking energy: -244.612
Base-Backbone interact. energy: -2.349
local terms energy: -280.121458
where:
bonds (distance) C4'-P energy: -56.785
bonds (distance) P-C4' energy: -65.566
flat angles C4'-P-C4' energy: -61.315
flat angles P-C4'-P energy: -47.758
tors. eta vs tors. theta energy: -48.698
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1083.080975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.080975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.880975 (E_RNA)
where:
Base-Base interactions energy: -615.384
where: short stacking energy: -236.406
Base-Backbone interact. energy: -0.801
local terms energy: -270.695947
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -70.857
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -46.958
Dist. restrs. and SS energy: -196.200 (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: 294
Temperature: 1.350000
Total energy: -981.717396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.717396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.317396 (E_RNA)
where:
Base-Base interactions energy: -551.420
where: short stacking energy: -224.856
Base-Backbone interact. energy: -0.998
local terms energy: -261.899818
where:
bonds (distance) C4'-P energy: -62.275
bonds (distance) P-C4' energy: -58.636
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -53.078
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1455.761085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.761085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.561085 (E_RNA)
where:
Base-Base interactions energy: -880.341
where: short stacking energy: -358.956
Base-Backbone interact. energy: -1.570
local terms energy: -377.650001
where:
bonds (distance) C4'-P energy: -68.443
bonds (distance) P-C4' energy: -69.902
flat angles C4'-P-C4' energy: -84.393
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -98.313
Dist. restrs. and SS energy: -196.200 (S_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: -1391.525736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.525736 (E_RNA)
where:
Base-Base interactions energy: -813.971
where: short stacking energy: -348.920
Base-Backbone interact. energy: 1.175
local terms energy: -371.729918
where:
bonds (distance) C4'-P energy: -68.760
bonds (distance) P-C4' energy: -69.792
flat angles C4'-P-C4' energy: -88.238
flat angles P-C4'-P energy: -57.074
tors. eta vs tors. theta energy: -87.865
Dist. restrs. and SS energy: -207.000 (S_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: 295
Temperature: 1.000000
Total energy: -1390.652740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.652740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.052740 (E_RNA)
where:
Base-Base interactions energy: -824.063
where: short stacking energy: -327.421
Base-Backbone interact. energy: -1.581
local terms energy: -363.408543
where:
bonds (distance) C4'-P energy: -74.797
bonds (distance) P-C4' energy: -76.207
flat angles C4'-P-C4' energy: -74.743
flat angles P-C4'-P energy: -48.197
tors. eta vs tors. theta energy: -89.465
Dist. restrs. and SS energy: -201.600 (S_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: 295
Temperature: 1.050000
Total energy: -1302.594533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.594533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.594533 (E_RNA)
where:
Base-Base interactions energy: -755.576
where: short stacking energy: -309.907
Base-Backbone interact. energy: -0.570
local terms energy: -330.448037
where:
bonds (distance) C4'-P energy: -57.795
bonds (distance) P-C4' energy: -66.365
flat angles C4'-P-C4' energy: -73.525
flat angles P-C4'-P energy: -54.297
tors. eta vs tors. theta energy: -78.466
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1270.252723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.252723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.452723 (E_RNA)
where:
Base-Base interactions energy: -733.796
where: short stacking energy: -297.086
Base-Backbone interact. energy: -2.016
local terms energy: -325.640184
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -70.807
flat angles C4'-P-C4' energy: -69.309
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -78.013
Dist. restrs. and SS energy: -208.800 (S_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: 295
Temperature: 1.150000
Total energy: -1231.636671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.636671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.636671 (E_RNA)
where:
Base-Base interactions energy: -702.644
where: short stacking energy: -296.257
Base-Backbone interact. energy: -0.328
local terms energy: -321.664821
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -65.597
flat angles C4'-P-C4' energy: -71.872
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -90.444
Dist. restrs. and SS energy: -207.000 (S_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: 295
Temperature: 1.200000
Total energy: -1210.348552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.348552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.348552 (E_RNA)
where:
Base-Base interactions energy: -688.024
where: short stacking energy: -262.234
Base-Backbone interact. energy: -3.046
local terms energy: -303.277912
where:
bonds (distance) C4'-P energy: -64.535
bonds (distance) P-C4' energy: -65.622
flat angles C4'-P-C4' energy: -62.367
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -72.251
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1113.513763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.513763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.113763 (E_RNA)
where:
Base-Base interactions energy: -638.135
where: short stacking energy: -248.591
Base-Backbone interact. energy: -0.325
local terms energy: -271.653275
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -65.224
flat angles C4'-P-C4' energy: -58.591
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -58.749
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1094.327506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.327506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.727506 (E_RNA)
where:
Base-Base interactions energy: -633.984
where: short stacking energy: -233.908
Base-Backbone interact. energy: 0.135
local terms energy: -249.878423
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -58.137
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -974.066415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.066415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.466415 (E_RNA)
where:
Base-Base interactions energy: -544.115
where: short stacking energy: -230.072
Base-Backbone interact. energy: 3.775
local terms energy: -268.126706
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -50.974
flat angles C4'-P-C4' energy: -69.617
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -58.811
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1441.486929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.486929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.086929 (E_RNA)
where:
Base-Base interactions energy: -872.437
where: short stacking energy: -347.674
Base-Backbone interact. energy: 6.660
local terms energy: -381.309346
where:
bonds (distance) C4'-P energy: -88.332
bonds (distance) P-C4' energy: -64.078
flat angles C4'-P-C4' energy: -78.246
flat angles P-C4'-P energy: -52.103
tors. eta vs tors. theta energy: -98.550
Dist. restrs. and SS energy: -194.400 (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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1415.381820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.381820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.381820 (E_RNA)
where:
Base-Base interactions energy: -849.259
where: short stacking energy: -357.475
Base-Backbone interact. energy: -2.066
local terms energy: -357.056765
where:
bonds (distance) C4'-P energy: -70.187
bonds (distance) P-C4' energy: -57.907
flat angles C4'-P-C4' energy: -77.568
flat angles P-C4'-P energy: -57.686
tors. eta vs tors. theta energy: -93.709
Dist. restrs. and SS energy: -207.000 (S_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: 296
Temperature: 1.000000
Total energy: -1388.962002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.962002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.362002 (E_RNA)
where:
Base-Base interactions energy: -836.358
where: short stacking energy: -328.645
Base-Backbone interact. energy: -1.546
local terms energy: -349.457344
where:
bonds (distance) C4'-P energy: -60.708
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -74.137
flat angles P-C4'-P energy: -54.862
tors. eta vs tors. theta energy: -90.315
Dist. restrs. and SS energy: -201.600 (S_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: 296
Temperature: 1.050000
Total energy: -1312.050669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.050669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.050669 (E_RNA)
where:
Base-Base interactions energy: -759.255
where: short stacking energy: -293.503
Base-Backbone interact. energy: -1.873
local terms energy: -334.922729
where:
bonds (distance) C4'-P energy: -66.056
bonds (distance) P-C4' energy: -67.221
flat angles C4'-P-C4' energy: -79.429
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -78.005
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1290.847926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.847926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.847926 (E_RNA)
where:
Base-Base interactions energy: -762.597
where: short stacking energy: -316.415
Base-Backbone interact. energy: 1.037
local terms energy: -322.288343
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -53.549
flat angles C4'-P-C4' energy: -73.421
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -83.201
Dist. restrs. and SS energy: -207.000 (S_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: 296
Temperature: 1.150000
Total energy: -1221.848461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.848461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.848461 (E_RNA)
where:
Base-Base interactions energy: -714.542
where: short stacking energy: -311.470
Base-Backbone interact. energy: 2.135
local terms energy: -302.441123
where:
bonds (distance) C4'-P energy: -56.439
bonds (distance) P-C4' energy: -59.272
flat angles C4'-P-C4' energy: -55.107
flat angles P-C4'-P energy: -50.941
tors. eta vs tors. theta energy: -80.683
Dist. restrs. and SS energy: -207.000 (S_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: 296
Temperature: 1.200000
Total energy: -1214.013424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.013424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.613424 (E_RNA)
where:
Base-Base interactions energy: -680.408
where: short stacking energy: -268.361
Base-Backbone interact. energy: -2.412
local terms energy: -318.793564
where:
bonds (distance) C4'-P energy: -60.077
bonds (distance) P-C4' energy: -65.751
flat angles C4'-P-C4' energy: -71.524
flat angles P-C4'-P energy: -53.026
tors. eta vs tors. theta energy: -68.415
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1131.826007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.826007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.226007 (E_RNA)
where:
Base-Base interactions energy: -653.518
where: short stacking energy: -244.357
Base-Backbone interact. energy: -1.531
local terms energy: -275.176754
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -54.065
Dist. restrs. and SS energy: -201.600 (S_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: -1062.646566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.646566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.846566 (E_RNA)
where:
Base-Base interactions energy: -602.946
where: short stacking energy: -223.025
Base-Backbone interact. energy: 1.431
local terms energy: -270.331005
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -62.952
flat angles P-C4'-P energy: -39.542
tors. eta vs tors. theta energy: -50.737
Dist. restrs. and SS energy: -190.800 (S_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: 296
Temperature: 1.350000
Total energy: -989.577937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.577937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.377937 (E_RNA)
where:
Base-Base interactions energy: -556.687
where: short stacking energy: -217.668
Base-Backbone interact. energy: -2.632
local terms energy: -261.059759
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -68.914
flat angles C4'-P-C4' energy: -55.999
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -49.846
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1455.092453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.092453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.092453 (E_RNA)
where:
Base-Base interactions energy: -877.543
where: short stacking energy: -339.241
Base-Backbone interact. energy: 2.379
local terms energy: -381.928222
where:
bonds (distance) C4'-P energy: -74.051
bonds (distance) P-C4' energy: -73.555
flat angles C4'-P-C4' energy: -79.184
flat angles P-C4'-P energy: -56.813
tors. eta vs tors. theta energy: -98.325
Dist. restrs. and SS energy: -198.000 (S_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: -1410.588179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.588179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.388179 (E_RNA)
where:
Base-Base interactions energy: -826.944
where: short stacking energy: -340.939
Base-Backbone interact. energy: -1.214
local terms energy: -377.230646
where:
bonds (distance) C4'-P energy: -76.679
bonds (distance) P-C4' energy: -80.903
flat angles C4'-P-C4' energy: -81.323
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -88.855
Dist. restrs. and SS energy: -205.200 (S_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: 297
Temperature: 1.000000
Total energy: -1373.462733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.462733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.462733 (E_RNA)
where:
Base-Base interactions energy: -809.789
where: short stacking energy: -338.358
Base-Backbone interact. energy: -2.505
local terms energy: -363.167889
where:
bonds (distance) C4'-P energy: -70.607
bonds (distance) P-C4' energy: -69.909
flat angles C4'-P-C4' energy: -80.907
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: -95.541
Dist. restrs. and SS energy: -198.000 (S_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: 297
Temperature: 1.050000
Total energy: -1329.500434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.500434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.100434 (E_RNA)
where:
Base-Base interactions energy: -768.845
where: short stacking energy: -326.978
Base-Backbone interact. energy: -1.320
local terms energy: -355.935783
where:
bonds (distance) C4'-P energy: -58.190
bonds (distance) P-C4' energy: -71.367
flat angles C4'-P-C4' energy: -80.838
flat angles P-C4'-P energy: -51.882
tors. eta vs tors. theta energy: -93.658
Dist. restrs. and SS energy: -203.400 (S_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: 297
Temperature: 1.100000
Total energy: -1245.706721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.706721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.306721 (E_RNA)
where:
Base-Base interactions energy: -710.712
where: short stacking energy: -286.990
Base-Backbone interact. energy: -1.577
local terms energy: -321.018048
where:
bonds (distance) C4'-P energy: -59.063
bonds (distance) P-C4' energy: -68.534
flat angles C4'-P-C4' energy: -78.252
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: -212.400 (S_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: 297
Temperature: 1.150000
Total energy: -1206.512772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.512772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.512772 (E_RNA)
where:
Base-Base interactions energy: -684.924
where: short stacking energy: -282.218
Base-Backbone interact. energy: 2.420
local terms energy: -317.008884
where:
bonds (distance) C4'-P energy: -66.967
bonds (distance) P-C4' energy: -67.090
flat angles C4'-P-C4' energy: -66.977
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -76.970
Dist. restrs. and SS energy: -207.000 (S_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: 297
Temperature: 1.200000
Total energy: -1224.254638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.254638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.454638 (E_RNA)
where:
Base-Base interactions energy: -721.050
where: short stacking energy: -291.828
Base-Backbone interact. energy: 4.186
local terms energy: -298.590593
where:
bonds (distance) C4'-P energy: -52.769
bonds (distance) P-C4' energy: -50.326
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -81.424
Dist. restrs. and SS energy: -208.800 (S_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: 297
Temperature: 1.250000
Total energy: -1122.221934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.221934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.221934 (E_RNA)
where:
Base-Base interactions energy: -628.832
where: short stacking energy: -250.914
Base-Backbone interact. energy: 0.346
local terms energy: -286.736274
where:
bonds (distance) C4'-P energy: -63.358
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -62.259
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -59.633
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1131.730219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.730219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.130219 (E_RNA)
where:
Base-Base interactions energy: -643.187
where: short stacking energy: -246.046
Base-Backbone interact. energy: 0.991
local terms energy: -278.934272
where:
bonds (distance) C4'-P energy: -60.053
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -55.767
flat angles P-C4'-P energy: -35.444
tors. eta vs tors. theta energy: -55.489
Dist. restrs. and SS energy: -210.600 (S_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: 297
Temperature: 1.350000
Total energy: -1000.213130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.213130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.613130 (E_RNA)
where:
Base-Base interactions energy: -556.640
where: short stacking energy: -243.086
Base-Backbone interact. energy: -0.005
local terms energy: -259.967899
where:
bonds (distance) C4'-P energy: -56.134
bonds (distance) P-C4' energy: -55.943
flat angles C4'-P-C4' energy: -48.088
flat angles P-C4'-P energy: -33.543
tors. eta vs tors. theta energy: -66.260
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1462.635711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.635711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.635711 (E_RNA)
where:
Base-Base interactions energy: -886.490
where: short stacking energy: -340.291
Base-Backbone interact. energy: 11.636
local terms energy: -389.782167
where:
bonds (distance) C4'-P energy: -80.684
bonds (distance) P-C4' energy: -79.878
flat angles C4'-P-C4' energy: -78.700
flat angles P-C4'-P energy: -57.891
tors. eta vs tors. theta energy: -92.628
Dist. restrs. and SS energy: -198.000 (S_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: 298
Temperature: 0.950000
Total energy: -1420.832532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.832532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.832532 (E_RNA)
where:
Base-Base interactions energy: -841.042
where: short stacking energy: -350.514
Base-Backbone interact. energy: -2.763
local terms energy: -370.027154
where:
bonds (distance) C4'-P energy: -74.599
bonds (distance) P-C4' energy: -75.688
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -48.739
tors. eta vs tors. theta energy: -95.118
Dist. restrs. and SS energy: -207.000 (S_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: 298
Temperature: 1.000000
Total energy: -1382.068762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.068762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.668762 (E_RNA)
where:
Base-Base interactions energy: -829.684
where: short stacking energy: -340.132
Base-Backbone interact. energy: -0.291
local terms energy: -348.693089
where:
bonds (distance) C4'-P energy: -71.471
bonds (distance) P-C4' energy: -71.958
flat angles C4'-P-C4' energy: -65.951
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -85.279
Dist. restrs. and SS energy: -203.400 (S_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: 298
Temperature: 1.050000
Total energy: -1350.712366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.712366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.712366 (E_RNA)
where:
Base-Base interactions energy: -799.749
where: short stacking energy: -336.755
Base-Backbone interact. energy: -0.234
local terms energy: -343.729171
where:
bonds (distance) C4'-P energy: -66.428
bonds (distance) P-C4' energy: -67.393
flat angles C4'-P-C4' energy: -74.185
flat angles P-C4'-P energy: -41.489
tors. eta vs tors. theta energy: -94.233
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1234.061683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.061683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.461683 (E_RNA)
where:
Base-Base interactions energy: -697.265
where: short stacking energy: -298.275
Base-Backbone interact. energy: -0.697
local terms energy: -334.499112
where:
bonds (distance) C4'-P energy: -67.395
bonds (distance) P-C4' energy: -63.543
flat angles C4'-P-C4' energy: -64.766
flat angles P-C4'-P energy: -61.021
tors. eta vs tors. theta energy: -77.774
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1199.182358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.182358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.582358 (E_RNA)
where:
Base-Base interactions energy: -674.035
where: short stacking energy: -277.357
Base-Backbone interact. energy: 0.328
local terms energy: -314.875985
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -70.556
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -69.447
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1206.176300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.176300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.776300 (E_RNA)
where:
Base-Base interactions energy: -709.745
where: short stacking energy: -261.975
Base-Backbone interact. energy: -1.515
local terms energy: -291.516232
where:
bonds (distance) C4'-P energy: -59.934
bonds (distance) P-C4' energy: -66.903
flat angles C4'-P-C4' energy: -74.001
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -65.041
Dist. restrs. and SS energy: -203.400 (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: 298
Temperature: 1.250000
Total energy: -1099.403413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.403413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.003413 (E_RNA)
where:
Base-Base interactions energy: -607.935
where: short stacking energy: -237.666
Base-Backbone interact. energy: 3.161
local terms energy: -291.229603
where:
bonds (distance) C4'-P energy: -65.579
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -55.534
flat angles P-C4'-P energy: -43.642
tors. eta vs tors. theta energy: -59.300
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1140.509624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.509624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.109624 (E_RNA)
where:
Base-Base interactions energy: -637.944
where: short stacking energy: -252.973
Base-Backbone interact. energy: -2.365
local terms energy: -287.800240
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -72.820
flat angles C4'-P-C4' energy: -68.897
flat angles P-C4'-P energy: -42.005
tors. eta vs tors. theta energy: -52.593
Dist. restrs. and SS energy: -212.400 (S_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: 298
Temperature: 1.350000
Total energy: -984.694429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.694429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.294429 (E_RNA)
where:
Base-Base interactions energy: -563.470
where: short stacking energy: -246.180
Base-Backbone interact. energy: -0.864
local terms energy: -243.960546
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -57.059
flat angles C4'-P-C4' energy: -66.829
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -46.123
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1471.206974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.206974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.406974 (E_RNA)
where:
Base-Base interactions energy: -895.310
where: short stacking energy: -338.808
Base-Backbone interact. energy: -0.024
local terms energy: -376.072730
where:
bonds (distance) C4'-P energy: -70.334
bonds (distance) P-C4' energy: -69.698
flat angles C4'-P-C4' energy: -86.896
flat angles P-C4'-P energy: -59.569
tors. eta vs tors. theta energy: -89.575
Dist. restrs. and SS energy: -199.800 (S_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: 299
Temperature: 0.950000
Total energy: -1442.766415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.766415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.566415 (E_RNA)
where:
Base-Base interactions energy: -861.269
where: short stacking energy: -373.761
Base-Backbone interact. energy: -1.322
local terms energy: -374.975600
where:
bonds (distance) C4'-P energy: -66.306
bonds (distance) P-C4' energy: -71.675
flat angles C4'-P-C4' energy: -92.287
flat angles P-C4'-P energy: -36.139
tors. eta vs tors. theta energy: -108.568
Dist. restrs. and SS energy: -205.200 (S_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: 299
Temperature: 1.000000
Total energy: -1396.075151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.075151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.675151 (E_RNA)
where:
Base-Base interactions energy: -830.673
where: short stacking energy: -346.283
Base-Backbone interact. energy: -2.119
local terms energy: -359.883013
where:
bonds (distance) C4'-P energy: -63.086
bonds (distance) P-C4' energy: -72.817
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -54.678
tors. eta vs tors. theta energy: -93.669
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1344.362050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.362050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.762050 (E_RNA)
where:
Base-Base interactions energy: -779.286
where: short stacking energy: -324.332
Base-Backbone interact. energy: -2.654
local terms energy: -360.822110
where:
bonds (distance) C4'-P energy: -75.737
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -79.414
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: -90.692
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1285.222865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.222865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.222865 (E_RNA)
where:
Base-Base interactions energy: -747.327
where: short stacking energy: -307.353
Base-Backbone interact. energy: -0.644
local terms energy: -330.251712
where:
bonds (distance) C4'-P energy: -63.084
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -82.147
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -85.669
Dist. restrs. and SS energy: -207.000 (S_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: 299
Temperature: 1.150000
Total energy: -1258.120826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.120826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.320826 (E_RNA)
where:
Base-Base interactions energy: -730.795
where: short stacking energy: -293.635
Base-Backbone interact. energy: -2.309
local terms energy: -316.216593
where:
bonds (distance) C4'-P energy: -70.295
bonds (distance) P-C4' energy: -68.352
flat angles C4'-P-C4' energy: -70.403
flat angles P-C4'-P energy: -41.022
tors. eta vs tors. theta energy: -66.146
Dist. restrs. and SS energy: -208.800 (S_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: 299
Temperature: 1.200000
Total energy: -1162.581342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.581342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.381342 (E_RNA)
where:
Base-Base interactions energy: -665.913
where: short stacking energy: -267.958
Base-Backbone interact. energy: -1.682
local terms energy: -298.786620
where:
bonds (distance) C4'-P energy: -62.302
bonds (distance) P-C4' energy: -64.987
flat angles C4'-P-C4' energy: -73.721
flat angles P-C4'-P energy: -41.868
tors. eta vs tors. theta energy: -55.908
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1171.200444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.200444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.400444 (E_RNA)
where:
Base-Base interactions energy: -693.966
where: short stacking energy: -282.275
Base-Backbone interact. energy: -2.215
local terms energy: -266.219610
where:
bonds (distance) C4'-P energy: -52.838
bonds (distance) P-C4' energy: -59.210
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: -67.840
Dist. restrs. and SS energy: -208.800 (S_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: 299
Temperature: 1.300000
Total energy: -1067.038025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.038025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.838025 (E_RNA)
where:
Base-Base interactions energy: -600.749
where: short stacking energy: -226.319
Base-Backbone interact. energy: 0.045
local terms energy: -261.133233
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -60.388
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -28.946
tors. eta vs tors. theta energy: -56.681
Dist. restrs. and SS energy: -205.200 (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: 299
Temperature: 1.350000
Total energy: -995.792323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.792323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.792323 (E_RNA)
where:
Base-Base interactions energy: -555.826
where: short stacking energy: -232.419
Base-Backbone interact. energy: 2.163
local terms energy: -262.129486
where:
bonds (distance) C4'-P energy: -51.301
bonds (distance) P-C4' energy: -68.183
flat angles C4'-P-C4' energy: -56.176
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -52.483
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1494.899709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.899709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.299709 (E_RNA)
where:
Base-Base interactions energy: -919.545
where: short stacking energy: -360.733
Base-Backbone interact. energy: -3.512
local terms energy: -370.243159
where:
bonds (distance) C4'-P energy: -71.523
bonds (distance) P-C4' energy: -74.896
flat angles C4'-P-C4' energy: -78.821
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -93.871
Dist. restrs. and SS energy: -201.600 (S_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: -1425.604747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.604747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.604747 (E_RNA)
where:
Base-Base interactions energy: -841.225
where: short stacking energy: -334.598
Base-Backbone interact. energy: -0.013
local terms energy: -377.366445
where:
bonds (distance) C4'-P energy: -75.720
bonds (distance) P-C4' energy: -68.727
flat angles C4'-P-C4' energy: -85.821
flat angles P-C4'-P energy: -56.963
tors. eta vs tors. theta energy: -90.135
Dist. restrs. and SS energy: -207.000 (S_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: -1381.337158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.337158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.537158 (E_RNA)
where:
Base-Base interactions energy: -825.017
where: short stacking energy: -334.407
Base-Backbone interact. energy: -1.761
local terms energy: -354.758590
where:
bonds (distance) C4'-P energy: -68.604
bonds (distance) P-C4' energy: -74.307
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -86.036
Dist. restrs. and SS energy: -199.800 (S_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: -1324.211130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.211130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.011130 (E_RNA)
where:
Base-Base interactions energy: -755.650
where: short stacking energy: -303.272
Base-Backbone interact. energy: -2.638
local terms energy: -360.723345
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -81.393
flat angles P-C4'-P energy: -59.447
tors. eta vs tors. theta energy: -90.727
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1291.543610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.543610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.143610 (E_RNA)
where:
Base-Base interactions energy: -758.586
where: short stacking energy: -292.819
Base-Backbone interact. energy: 0.960
local terms energy: -321.517310
where:
bonds (distance) C4'-P energy: -65.391
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -71.808
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: -77.859
Dist. restrs. and SS energy: -212.400 (S_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: 300
Temperature: 1.150000
Total energy: -1229.317206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.317206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.717206 (E_RNA)
where:
Base-Base interactions energy: -702.457
where: short stacking energy: -286.973
Base-Backbone interact. energy: -2.053
local terms energy: -323.207837
where:
bonds (distance) C4'-P energy: -58.593
bonds (distance) P-C4' energy: -74.575
flat angles C4'-P-C4' energy: -66.620
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: -78.722
Dist. restrs. and SS energy: -201.600 (S_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: 300
Temperature: 1.200000
Total energy: -1154.748043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.748043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.748043 (E_RNA)
where:
Base-Base interactions energy: -663.193
where: short stacking energy: -269.479
Base-Backbone interact. energy: 2.267
local terms energy: -304.822347
where:
bonds (distance) C4'-P energy: -59.447
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -79.623
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -62.801
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1160.175435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.175435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.575435 (E_RNA)
where:
Base-Base interactions energy: -650.928
where: short stacking energy: -255.067
Base-Backbone interact. energy: 1.464
local terms energy: -309.111143
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -70.340
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -50.945
tors. eta vs tors. theta energy: -62.133
Dist. restrs. and SS energy: -201.600 (S_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: 300
Temperature: 1.300000
Total energy: -1113.830871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.830871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.830871 (E_RNA)
where:
Base-Base interactions energy: -627.467
where: short stacking energy: -246.730
Base-Backbone interact. energy: 0.195
local terms energy: -288.559048
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -65.133
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -67.063
Dist. restrs. and SS energy: -198.000 (S_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: 300
Temperature: 1.350000
Total energy: -1002.356802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.356802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.156802 (E_RNA)
where:
Base-Base interactions energy: -569.465
where: short stacking energy: -219.582
Base-Backbone interact. energy: 1.324
local terms energy: -247.015860
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -42.222
flat angles C4'-P-C4' energy: -61.423
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -49.288
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1472.615029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.615029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.815029 (E_RNA)
where:
Base-Base interactions energy: -912.371
where: short stacking energy: -355.552
Base-Backbone interact. energy: 6.214
local terms energy: -366.658038
where:
bonds (distance) C4'-P energy: -72.797
bonds (distance) P-C4' energy: -76.369
flat angles C4'-P-C4' energy: -83.613
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -94.013
Dist. restrs. and SS energy: -199.800 (S_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: -1443.699407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.699407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.499407 (E_RNA)
where:
Base-Base interactions energy: -857.492
where: short stacking energy: -345.464
Base-Backbone interact. energy: -0.473
local terms energy: -380.534352
where:
bonds (distance) C4'-P energy: -71.903
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -85.414
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -98.407
Dist. restrs. and SS energy: -205.200 (S_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: -1381.860179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.860179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.060179 (E_RNA)
where:
Base-Base interactions energy: -827.870
where: short stacking energy: -327.859
Base-Backbone interact. energy: -0.194
local terms energy: -353.996079
where:
bonds (distance) C4'-P energy: -65.057
bonds (distance) P-C4' energy: -68.435
flat angles C4'-P-C4' energy: -82.338
flat angles P-C4'-P energy: -47.133
tors. eta vs tors. theta energy: -91.032
Dist. restrs. and SS energy: -199.800 (S_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: -1321.813617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.813617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.013617 (E_RNA)
where:
Base-Base interactions energy: -773.196
where: short stacking energy: -326.751
Base-Backbone interact. energy: -1.980
local terms energy: -337.837325
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -69.215
flat angles C4'-P-C4' energy: -67.434
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -82.710
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1304.751832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.751832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.751832 (E_RNA)
where:
Base-Base interactions energy: -752.795
where: short stacking energy: -306.932
Base-Backbone interact. energy: -4.953
local terms energy: -331.003451
where:
bonds (distance) C4'-P energy: -56.577
bonds (distance) P-C4' energy: -72.932
flat angles C4'-P-C4' energy: -80.743
flat angles P-C4'-P energy: -46.081
tors. eta vs tors. theta energy: -74.671
Dist. restrs. and SS energy: -216.000 (S_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: 301
Temperature: 1.150000
Total energy: -1231.492180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.492180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.492180 (E_RNA)
where:
Base-Base interactions energy: -696.294
where: short stacking energy: -268.381
Base-Backbone interact. energy: -2.143
local terms energy: -335.055675
where:
bonds (distance) C4'-P energy: -69.541
bonds (distance) P-C4' energy: -59.722
flat angles C4'-P-C4' energy: -73.204
flat angles P-C4'-P energy: -53.967
tors. eta vs tors. theta energy: -78.622
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1186.142164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.142164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.542164 (E_RNA)
where:
Base-Base interactions energy: -657.426
where: short stacking energy: -271.800
Base-Backbone interact. energy: -1.959
local terms energy: -325.156216
where:
bonds (distance) C4'-P energy: -75.635
bonds (distance) P-C4' energy: -63.202
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -63.527
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1175.810382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.810382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.010382 (E_RNA)
where:
Base-Base interactions energy: -659.412
where: short stacking energy: -256.070
Base-Backbone interact. energy: -2.170
local terms energy: -305.428420
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -51.296
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -44.183
tors. eta vs tors. theta energy: -71.106
Dist. restrs. and SS energy: -208.800 (S_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: 301
Temperature: 1.300000
Total energy: -1136.133914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.133914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.133914 (E_RNA)
where:
Base-Base interactions energy: -650.413
where: short stacking energy: -270.701
Base-Backbone interact. energy: 1.424
local terms energy: -280.144608
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -56.794
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -55.687
Dist. restrs. and SS energy: -207.000 (S_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: 301
Temperature: 1.350000
Total energy: -1029.621298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.621298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.621298 (E_RNA)
where:
Base-Base interactions energy: -568.677
where: short stacking energy: -221.776
Base-Backbone interact. energy: 2.755
local terms energy: -274.699490
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -65.397
flat angles P-C4'-P energy: -39.563
tors. eta vs tors. theta energy: -62.412
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1468.898299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.898299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.298299 (E_RNA)
where:
Base-Base interactions energy: -879.897
where: short stacking energy: -348.385
Base-Backbone interact. energy: -2.558
local terms energy: -384.843388
where:
bonds (distance) C4'-P energy: -76.870
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -73.816
flat angles P-C4'-P energy: -65.319
tors. eta vs tors. theta energy: -91.731
Dist. restrs. and SS energy: -201.600 (S_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: 302
Temperature: 0.950000
Total energy: -1426.533284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.533284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.333284 (E_RNA)
where:
Base-Base interactions energy: -839.405
where: short stacking energy: -340.261
Base-Backbone interact. energy: -1.905
local terms energy: -380.023570
where:
bonds (distance) C4'-P energy: -68.615
bonds (distance) P-C4' energy: -72.835
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: -102.573
Dist. restrs. and SS energy: -205.200 (S_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: 302
Temperature: 1.000000
Total energy: -1373.282550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.282550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.482550 (E_RNA)
where:
Base-Base interactions energy: -804.880
where: short stacking energy: -352.506
Base-Backbone interact. energy: 1.463
local terms energy: -370.065930
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -74.515
flat angles C4'-P-C4' energy: -78.081
flat angles P-C4'-P energy: -52.735
tors. eta vs tors. theta energy: -98.482
Dist. restrs. and SS energy: -199.800 (S_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: 302
Temperature: 1.050000
Total energy: -1309.535667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.535667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.735667 (E_RNA)
where:
Base-Base interactions energy: -756.944
where: short stacking energy: -324.585
Base-Backbone interact. energy: -0.967
local terms energy: -342.824256
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -72.353
flat angles C4'-P-C4' energy: -80.456
flat angles P-C4'-P energy: -41.014
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1264.848521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.848521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.648521 (E_RNA)
where:
Base-Base interactions energy: -752.110
where: short stacking energy: -293.183
Base-Backbone interact. energy: 5.247
local terms energy: -303.785409
where:
bonds (distance) C4'-P energy: -55.683
bonds (distance) P-C4' energy: -66.051
flat angles C4'-P-C4' energy: -66.737
flat angles P-C4'-P energy: -46.345
tors. eta vs tors. theta energy: -68.970
Dist. restrs. and SS energy: -214.200 (S_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: 302
Temperature: 1.150000
Total energy: -1230.327643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.327643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.527643 (E_RNA)
where:
Base-Base interactions energy: -702.594
where: short stacking energy: -296.663
Base-Backbone interact. energy: -0.290
local terms energy: -318.643098
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -66.102
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -70.774
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1183.728793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.728793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.528793 (E_RNA)
where:
Base-Base interactions energy: -672.450
where: short stacking energy: -272.589
Base-Backbone interact. energy: -0.551
local terms energy: -305.528308
where:
bonds (distance) C4'-P energy: -60.778
bonds (distance) P-C4' energy: -64.488
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -44.466
tors. eta vs tors. theta energy: -64.563
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1151.398581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.398581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.998581 (E_RNA)
where:
Base-Base interactions energy: -652.198
where: short stacking energy: -247.861
Base-Backbone interact. energy: 1.123
local terms energy: -296.924287
where:
bonds (distance) C4'-P energy: -64.691
bonds (distance) P-C4' energy: -61.973
flat angles C4'-P-C4' energy: -67.160
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: -57.540
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1093.517819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.517819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.517819 (E_RNA)
where:
Base-Base interactions energy: -631.360
where: short stacking energy: -260.959
Base-Backbone interact. energy: -2.362
local terms energy: -252.795995
where:
bonds (distance) C4'-P energy: -50.628
bonds (distance) P-C4' energy: -49.730
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -39.721
tors. eta vs tors. theta energy: -54.810
Dist. restrs. and SS energy: -207.000 (S_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: 302
Temperature: 1.350000
Total energy: -996.400218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.400218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.600218 (E_RNA)
where:
Base-Base interactions energy: -549.844
where: short stacking energy: -228.986
Base-Backbone interact. energy: 1.159
local terms energy: -265.915230
where:
bonds (distance) C4'-P energy: -64.404
bonds (distance) P-C4' energy: -60.737
flat angles C4'-P-C4' energy: -53.915
flat angles P-C4'-P energy: -38.265
tors. eta vs tors. theta energy: -48.594
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1462.176594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.176594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.376594 (E_RNA)
where:
Base-Base interactions energy: -886.768
where: short stacking energy: -366.363
Base-Backbone interact. energy: -0.833
local terms energy: -374.775638
where:
bonds (distance) C4'-P energy: -74.103
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -80.701
flat angles P-C4'-P energy: -50.529
tors. eta vs tors. theta energy: -96.428
Dist. restrs. and SS energy: -199.800 (S_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: 303
Temperature: 0.950000
Total energy: -1418.718445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.718445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.918445 (E_RNA)
where:
Base-Base interactions energy: -844.013
where: short stacking energy: -357.907
Base-Backbone interact. energy: -2.032
local terms energy: -372.873487
where:
bonds (distance) C4'-P energy: -61.906
bonds (distance) P-C4' energy: -73.172
flat angles C4'-P-C4' energy: -85.336
flat angles P-C4'-P energy: -53.158
tors. eta vs tors. theta energy: -99.302
Dist. restrs. and SS energy: -199.800 (S_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: 303
Temperature: 1.000000
Total energy: -1409.031686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.031686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.031686 (E_RNA)
where:
Base-Base interactions energy: -841.402
where: short stacking energy: -341.571
Base-Backbone interact. energy: 0.719
local terms energy: -361.348597
where:
bonds (distance) C4'-P energy: -64.586
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -77.037
flat angles P-C4'-P energy: -50.586
tors. eta vs tors. theta energy: -97.529
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1309.208355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.208355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.808355 (E_RNA)
where:
Base-Base interactions energy: -766.135
where: short stacking energy: -310.276
Base-Backbone interact. energy: 3.662
local terms energy: -334.335287
where:
bonds (distance) C4'-P energy: -69.503
bonds (distance) P-C4' energy: -69.903
flat angles C4'-P-C4' energy: -71.047
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -77.500
Dist. restrs. and SS energy: -212.400 (S_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: 303
Temperature: 1.100000
Total energy: -1320.259931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.259931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.259931 (E_RNA)
where:
Base-Base interactions energy: -770.507
where: short stacking energy: -309.084
Base-Backbone interact. energy: -2.164
local terms energy: -349.588901
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -74.126
flat angles C4'-P-C4' energy: -75.279
flat angles P-C4'-P energy: -47.457
tors. eta vs tors. theta energy: -85.165
Dist. restrs. and SS energy: -198.000 (S_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: 303
Temperature: 1.150000
Total energy: -1224.786315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.786315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.586315 (E_RNA)
where:
Base-Base interactions energy: -709.793
where: short stacking energy: -282.151
Base-Backbone interact. energy: 0.092
local terms energy: -309.884990
where:
bonds (distance) C4'-P energy: -61.292
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -69.684
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: -72.531
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1187.809739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.809739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.009739 (E_RNA)
where:
Base-Base interactions energy: -674.985
where: short stacking energy: -287.734
Base-Backbone interact. energy: 4.463
local terms energy: -308.487733
where:
bonds (distance) C4'-P energy: -61.806
bonds (distance) P-C4' energy: -66.464
flat angles C4'-P-C4' energy: -63.347
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: -76.129
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1170.156278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.156278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.956278 (E_RNA)
where:
Base-Base interactions energy: -655.763
where: short stacking energy: -260.281
Base-Backbone interact. energy: 0.376
local terms energy: -309.569012
where:
bonds (distance) C4'-P energy: -61.291
bonds (distance) P-C4' energy: -73.329
flat angles C4'-P-C4' energy: -65.591
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -65.437
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1103.861496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.861496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.861496 (E_RNA)
where:
Base-Base interactions energy: -628.538
where: short stacking energy: -247.152
Base-Backbone interact. energy: -2.711
local terms energy: -265.612026
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -43.362
flat angles C4'-P-C4' energy: -66.592
flat angles P-C4'-P energy: -40.885
tors. eta vs tors. theta energy: -61.919
Dist. restrs. and SS energy: -207.000 (S_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: 303
Temperature: 1.350000
Total energy: -1011.549112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.549112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.949112 (E_RNA)
where:
Base-Base interactions energy: -563.282
where: short stacking energy: -238.933
Base-Backbone interact. energy: -2.838
local terms energy: -261.829226
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -51.497
flat angles C4'-P-C4' energy: -62.586
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: -183.600 (S_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: 304
Temperature: 0.900000
Total energy: -1447.512503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.512503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.912503 (E_RNA)
where:
Base-Base interactions energy: -872.521
where: short stacking energy: -344.453
Base-Backbone interact. energy: -1.614
local terms energy: -371.777910
where:
bonds (distance) C4'-P energy: -71.620
bonds (distance) P-C4' energy: -74.029
flat angles C4'-P-C4' energy: -78.053
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -98.949
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1421.777244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.777244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.977244 (E_RNA)
where:
Base-Base interactions energy: -847.480
where: short stacking energy: -341.509
Base-Backbone interact. energy: -2.186
local terms energy: -372.311650
where:
bonds (distance) C4'-P energy: -74.625
bonds (distance) P-C4' energy: -71.241
flat angles C4'-P-C4' energy: -76.535
flat angles P-C4'-P energy: -57.021
tors. eta vs tors. theta energy: -92.890
Dist. restrs. and SS energy: -199.800 (S_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: 304
Temperature: 1.000000
Total energy: -1411.340642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.340642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.340642 (E_RNA)
where:
Base-Base interactions energy: -838.993
where: short stacking energy: -333.108
Base-Backbone interact. energy: -1.321
local terms energy: -364.026012
where:
bonds (distance) C4'-P energy: -71.208
bonds (distance) P-C4' energy: -58.339
flat angles C4'-P-C4' energy: -82.166
flat angles P-C4'-P energy: -52.369
tors. eta vs tors. theta energy: -99.943
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1298.181233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.181233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.181233 (E_RNA)
where:
Base-Base interactions energy: -757.591
where: short stacking energy: -288.344
Base-Backbone interact. energy: 6.560
local terms energy: -331.150145
where:
bonds (distance) C4'-P energy: -71.000
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -50.116
tors. eta vs tors. theta energy: -67.641
Dist. restrs. and SS energy: -216.000 (S_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: 304
Temperature: 1.100000
Total energy: -1304.558037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.558037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.758037 (E_RNA)
where:
Base-Base interactions energy: -774.159
where: short stacking energy: -309.863
Base-Backbone interact. energy: -2.979
local terms energy: -327.620181
where:
bonds (distance) C4'-P energy: -63.005
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -65.797
flat angles P-C4'-P energy: -49.107
tors. eta vs tors. theta energy: -86.451
Dist. restrs. and SS energy: -199.800 (S_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: 304
Temperature: 1.150000
Total energy: -1240.514824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.514824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.314824 (E_RNA)
where:
Base-Base interactions energy: -708.335
where: short stacking energy: -297.696
Base-Backbone interact. energy: -2.983
local terms energy: -323.996268
where:
bonds (distance) C4'-P energy: -67.335
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -76.248
flat angles P-C4'-P energy: -41.946
tors. eta vs tors. theta energy: -77.472
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1184.009244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.009244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.009244 (E_RNA)
where:
Base-Base interactions energy: -669.479
where: short stacking energy: -260.476
Base-Backbone interact. energy: -0.953
local terms energy: -297.577466
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -73.649
flat angles C4'-P-C4' energy: -73.344
flat angles P-C4'-P energy: -49.535
tors. eta vs tors. theta energy: -62.611
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1153.565978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.565978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.165978 (E_RNA)
where:
Base-Base interactions energy: -664.139
where: short stacking energy: -261.300
Base-Backbone interact. energy: -1.112
local terms energy: -284.914333
where:
bonds (distance) C4'-P energy: -39.472
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -69.114
flat angles P-C4'-P energy: -33.461
tors. eta vs tors. theta energy: -63.820
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1033.396870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.396870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.196870 (E_RNA)
where:
Base-Base interactions energy: -550.196
where: short stacking energy: -240.238
Base-Backbone interact. energy: 1.994
local terms energy: -297.995497
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -75.279
flat angles P-C4'-P energy: -29.681
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1053.195335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.195335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.995335 (E_RNA)
where:
Base-Base interactions energy: -609.951
where: short stacking energy: -225.170
Base-Backbone interact. energy: -3.053
local terms energy: -234.991042
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -68.733
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -48.160
Dist. restrs. and SS energy: -205.200 (S_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: 305
Temperature: 0.900000
Total energy: -1444.040425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.040425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.640425 (E_RNA)
where:
Base-Base interactions energy: -864.545
where: short stacking energy: -357.926
Base-Backbone interact. energy: -1.169
local terms energy: -374.925647
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -71.689
flat angles C4'-P-C4' energy: -79.839
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -99.512
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1415.902491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.902491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.902491 (E_RNA)
where:
Base-Base interactions energy: -848.307
where: short stacking energy: -330.715
Base-Backbone interact. energy: 0.642
local terms energy: -370.237643
where:
bonds (distance) C4'-P energy: -72.510
bonds (distance) P-C4' energy: -77.940
flat angles C4'-P-C4' energy: -80.337
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -87.020
Dist. restrs. and SS energy: -198.000 (S_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: -1379.477080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.477080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.677080 (E_RNA)
where:
Base-Base interactions energy: -812.880
where: short stacking energy: -344.997
Base-Backbone interact. energy: -1.186
local terms energy: -356.611232
where:
bonds (distance) C4'-P energy: -58.931
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -77.752
flat angles P-C4'-P energy: -56.676
tors. eta vs tors. theta energy: -97.509
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1316.668777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.668777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.668777 (E_RNA)
where:
Base-Base interactions energy: -783.182
where: short stacking energy: -311.722
Base-Backbone interact. energy: 5.764
local terms energy: -323.251124
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -75.378
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -49.627
tors. eta vs tors. theta energy: -74.315
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1306.586816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.586816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.586816 (E_RNA)
where:
Base-Base interactions energy: -763.141
where: short stacking energy: -323.336
Base-Backbone interact. energy: -0.927
local terms energy: -335.519613
where:
bonds (distance) C4'-P energy: -81.481
bonds (distance) P-C4' energy: -63.970
flat angles C4'-P-C4' energy: -64.198
flat angles P-C4'-P energy: -47.054
tors. eta vs tors. theta energy: -78.816
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1215.258126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.258126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.258126 (E_RNA)
where:
Base-Base interactions energy: -696.567
where: short stacking energy: -280.588
Base-Backbone interact. energy: -1.339
local terms energy: -310.351434
where:
bonds (distance) C4'-P energy: -60.361
bonds (distance) P-C4' energy: -68.550
flat angles C4'-P-C4' energy: -69.997
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: -207.000 (S_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: 305
Temperature: 1.200000
Total energy: -1184.115896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.115896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.915896 (E_RNA)
where:
Base-Base interactions energy: -700.376
where: short stacking energy: -290.213
Base-Backbone interact. energy: 0.420
local terms energy: -287.959496
where:
bonds (distance) C4'-P energy: -57.093
bonds (distance) P-C4' energy: -65.698
flat angles C4'-P-C4' energy: -64.511
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -60.779
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1144.975709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.975709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.775709 (E_RNA)
where:
Base-Base interactions energy: -646.217
where: short stacking energy: -242.723
Base-Backbone interact. energy: -3.060
local terms energy: -290.498192
where:
bonds (distance) C4'-P energy: -52.811
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -69.997
flat angles P-C4'-P energy: -44.739
tors. eta vs tors. theta energy: -57.636
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1032.352089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.352089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.552089 (E_RNA)
where:
Base-Base interactions energy: -568.279
where: short stacking energy: -230.786
Base-Backbone interact. energy: -2.459
local terms energy: -279.813908
where:
bonds (distance) C4'-P energy: -65.505
bonds (distance) P-C4' energy: -60.914
flat angles C4'-P-C4' energy: -80.412
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -38.173
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1071.918611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.918611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.918611 (E_RNA)
where:
Base-Base interactions energy: -599.517
where: short stacking energy: -231.680
Base-Backbone interact. energy: -1.319
local terms energy: -264.082933
where:
bonds (distance) C4'-P energy: -58.043
bonds (distance) P-C4' energy: -63.045
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -50.212
tors. eta vs tors. theta energy: -55.255
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1462.289546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.289546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.489546 (E_RNA)
where:
Base-Base interactions energy: -877.729
where: short stacking energy: -359.043
Base-Backbone interact. energy: -3.764
local terms energy: -380.996052
where:
bonds (distance) C4'-P energy: -67.577
bonds (distance) P-C4' energy: -72.273
flat angles C4'-P-C4' energy: -83.596
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -96.643
Dist. restrs. and SS energy: -199.800 (S_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: -1421.657966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.657966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.457966 (E_RNA)
where:
Base-Base interactions energy: -847.376
where: short stacking energy: -351.466
Base-Backbone interact. energy: -2.147
local terms energy: -366.934770
where:
bonds (distance) C4'-P energy: -65.350
bonds (distance) P-C4' energy: -77.319
flat angles C4'-P-C4' energy: -79.522
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -96.708
Dist. restrs. and SS energy: -205.200 (S_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: 306
Temperature: 1.000000
Total energy: -1381.020477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.020477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.020477 (E_RNA)
where:
Base-Base interactions energy: -807.578
where: short stacking energy: -317.336
Base-Backbone interact. energy: -0.849
local terms energy: -365.593259
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -80.217
flat angles C4'-P-C4' energy: -71.570
flat angles P-C4'-P energy: -50.024
tors. eta vs tors. theta energy: -92.539
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1282.555360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.555360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.755360 (E_RNA)
where:
Base-Base interactions energy: -748.400
where: short stacking energy: -301.109
Base-Backbone interact. energy: 3.181
local terms energy: -319.537304
where:
bonds (distance) C4'-P energy: -66.932
bonds (distance) P-C4' energy: -64.538
flat angles C4'-P-C4' energy: -70.917
flat angles P-C4'-P energy: -45.564
tors. eta vs tors. theta energy: -71.587
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1308.752968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.752968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.552968 (E_RNA)
where:
Base-Base interactions energy: -778.877
where: short stacking energy: -298.430
Base-Backbone interact. energy: -2.024
local terms energy: -322.651972
where:
bonds (distance) C4'-P energy: -70.310
bonds (distance) P-C4' energy: -62.616
flat angles C4'-P-C4' energy: -71.492
flat angles P-C4'-P energy: -42.757
tors. eta vs tors. theta energy: -75.477
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1206.201766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.201766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.001766 (E_RNA)
where:
Base-Base interactions energy: -673.326
where: short stacking energy: -256.460
Base-Backbone interact. energy: 0.211
local terms energy: -318.886230
where:
bonds (distance) C4'-P energy: -75.218
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -73.639
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -65.217
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1155.510943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.510943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.310943 (E_RNA)
where:
Base-Base interactions energy: -653.425
where: short stacking energy: -266.266
Base-Backbone interact. energy: -2.925
local terms energy: -293.961028
where:
bonds (distance) C4'-P energy: -51.026
bonds (distance) P-C4' energy: -67.065
flat angles C4'-P-C4' energy: -65.840
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -66.419
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1146.048196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.048196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.048196 (E_RNA)
where:
Base-Base interactions energy: -646.686
where: short stacking energy: -262.905
Base-Backbone interact. energy: 2.730
local terms energy: -295.091968
where:
bonds (distance) C4'-P energy: -61.189
bonds (distance) P-C4' energy: -55.445
flat angles C4'-P-C4' energy: -63.553
flat angles P-C4'-P energy: -47.032
tors. eta vs tors. theta energy: -67.873
Dist. restrs. and SS energy: -207.000 (S_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: 306
Temperature: 1.300000
Total energy: -1115.610849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.610849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.210849 (E_RNA)
where:
Base-Base interactions energy: -648.261
where: short stacking energy: -253.080
Base-Backbone interact. energy: -0.301
local terms energy: -263.649561
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -54.565
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -50.933
Dist. restrs. and SS energy: -203.400 (S_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: 306
Temperature: 1.350000
Total energy: -1027.052203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.052203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.652203 (E_RNA)
where:
Base-Base interactions energy: -580.244
where: short stacking energy: -241.850
Base-Backbone interact. energy: -1.312
local terms energy: -260.095394
where:
bonds (distance) C4'-P energy: -58.457
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -33.984
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1463.664232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.664232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.864232 (E_RNA)
where:
Base-Base interactions energy: -897.791
where: short stacking energy: -344.556
Base-Backbone interact. energy: -0.869
local terms energy: -365.203938
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -75.165
flat angles C4'-P-C4' energy: -79.608
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -90.199
Dist. restrs. and SS energy: -199.800 (S_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: -1397.814891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.814891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.014891 (E_RNA)
where:
Base-Base interactions energy: -837.866
where: short stacking energy: -340.764
Base-Backbone interact. energy: -4.475
local terms energy: -346.674291
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -73.100
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -91.158
Dist. restrs. and SS energy: -208.800 (S_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: 307
Temperature: 1.000000
Total energy: -1405.326959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.326959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.326959 (E_RNA)
where:
Base-Base interactions energy: -839.069
where: short stacking energy: -334.988
Base-Backbone interact. energy: -1.134
local terms energy: -358.123600
where:
bonds (distance) C4'-P energy: -68.599
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -81.057
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -96.828
Dist. restrs. and SS energy: -207.000 (S_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: 307
Temperature: 1.050000
Total energy: -1335.365478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.365478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.165478 (E_RNA)
where:
Base-Base interactions energy: -775.163
where: short stacking energy: -309.281
Base-Backbone interact. energy: -3.542
local terms energy: -351.460808
where:
bonds (distance) C4'-P energy: -64.596
bonds (distance) P-C4' energy: -81.504
flat angles C4'-P-C4' energy: -76.316
flat angles P-C4'-P energy: -45.595
tors. eta vs tors. theta energy: -83.450
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1259.250866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.250866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.250866 (E_RNA)
where:
Base-Base interactions energy: -723.220
where: short stacking energy: -276.586
Base-Backbone interact. energy: -2.529
local terms energy: -317.502384
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -63.036
flat angles C4'-P-C4' energy: -77.755
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -59.070
Dist. restrs. and SS energy: -216.000 (S_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: -1207.240363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.240363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.840363 (E_RNA)
where:
Base-Base interactions energy: -701.033
where: short stacking energy: -265.399
Base-Backbone interact. energy: -3.529
local terms energy: -290.277553
where:
bonds (distance) C4'-P energy: -46.659
bonds (distance) P-C4' energy: -70.854
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -52.467
tors. eta vs tors. theta energy: -62.981
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. 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: -1195.393695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.393695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.193695 (E_RNA)
where:
Base-Base interactions energy: -690.881
where: short stacking energy: -267.358
Base-Backbone interact. energy: -0.555
local terms energy: -298.757774
where:
bonds (distance) C4'-P energy: -71.413
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -34.394
tors. eta vs tors. theta energy: -64.420
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1116.746241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.746241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.146241 (E_RNA)
where:
Base-Base interactions energy: -603.581
where: short stacking energy: -234.532
Base-Backbone interact. energy: -1.770
local terms energy: -291.794641
where:
bonds (distance) C4'-P energy: -59.339
bonds (distance) P-C4' energy: -61.482
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -37.424
tors. eta vs tors. theta energy: -54.998
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1125.240374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.240374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.040374 (E_RNA)
where:
Base-Base interactions energy: -622.592
where: short stacking energy: -233.102
Base-Backbone interact. energy: -0.837
local terms energy: -296.611380
where:
bonds (distance) C4'-P energy: -64.863
bonds (distance) P-C4' energy: -63.281
flat angles C4'-P-C4' energy: -61.893
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -59.541
Dist. restrs. and SS energy: -205.200 (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: 307
Temperature: 1.350000
Total energy: -1002.197052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.197052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.197052 (E_RNA)
where:
Base-Base interactions energy: -594.159
where: short stacking energy: -238.519
Base-Backbone interact. energy: -0.409
local terms energy: -218.628984
where:
bonds (distance) C4'-P energy: -57.117
bonds (distance) P-C4' energy: -46.564
flat angles C4'-P-C4' energy: -44.428
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -50.270
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1462.521955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.521955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.121955 (E_RNA)
where:
Base-Base interactions energy: -889.900
where: short stacking energy: -355.632
Base-Backbone interact. energy: -2.646
local terms energy: -375.575768
where:
bonds (distance) C4'-P energy: -81.972
bonds (distance) P-C4' energy: -72.202
flat angles C4'-P-C4' energy: -73.255
flat angles P-C4'-P energy: -51.502
tors. eta vs tors. theta energy: -96.644
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1434.707834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.707834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.507834 (E_RNA)
where:
Base-Base interactions energy: -847.871
where: short stacking energy: -358.544
Base-Backbone interact. energy: -2.551
local terms energy: -379.085508
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -68.247
flat angles C4'-P-C4' energy: -79.339
flat angles P-C4'-P energy: -61.904
tors. eta vs tors. theta energy: -103.513
Dist. restrs. and SS energy: -205.200 (S_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: 308
Temperature: 1.000000
Total energy: -1390.101093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.101093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.101093 (E_RNA)
where:
Base-Base interactions energy: -831.126
where: short stacking energy: -341.967
Base-Backbone interact. energy: -0.021
local terms energy: -351.954031
where:
bonds (distance) C4'-P energy: -70.697
bonds (distance) P-C4' energy: -71.527
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -49.890
tors. eta vs tors. theta energy: -96.144
Dist. restrs. and SS energy: -207.000 (S_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: 308
Temperature: 1.050000
Total energy: -1310.180326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.180326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.780326 (E_RNA)
where:
Base-Base interactions energy: -759.535
where: short stacking energy: -311.219
Base-Backbone interact. energy: -1.177
local terms energy: -346.068258
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -72.827
flat angles C4'-P-C4' energy: -78.862
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -87.509
Dist. restrs. and SS energy: -203.400 (S_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: -1290.564924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.564924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.364924 (E_RNA)
where:
Base-Base interactions energy: -738.159
where: short stacking energy: -307.555
Base-Backbone interact. energy: 1.514
local terms energy: -339.720372
where:
bonds (distance) C4'-P energy: -67.690
bonds (distance) P-C4' energy: -72.234
flat angles C4'-P-C4' energy: -72.839
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -86.889
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1224.062536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.062536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.462536 (E_RNA)
where:
Base-Base interactions energy: -713.881
where: short stacking energy: -286.960
Base-Backbone interact. energy: 5.108
local terms energy: -304.690132
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -72.441
flat angles C4'-P-C4' energy: -78.811
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -57.082
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1170.997554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.997554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.597554 (E_RNA)
where:
Base-Base interactions energy: -660.101
where: short stacking energy: -266.148
Base-Backbone interact. energy: 1.444
local terms energy: -308.940114
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -73.495
flat angles C4'-P-C4' energy: -68.446
flat angles P-C4'-P energy: -43.802
tors. eta vs tors. theta energy: -62.257
Dist. restrs. and SS energy: -203.400 (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: 308
Temperature: 1.250000
Total energy: -1125.204978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.204978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.404978 (E_RNA)
where:
Base-Base interactions energy: -630.441
where: short stacking energy: -246.510
Base-Backbone interact. energy: -1.067
local terms energy: -275.896647
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -57.303
flat angles C4'-P-C4' energy: -59.262
flat angles P-C4'-P energy: -42.839
tors. eta vs tors. theta energy: -57.133
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1148.799982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.799982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.399982 (E_RNA)
where:
Base-Base interactions energy: -671.015
where: short stacking energy: -255.646
Base-Backbone interact. energy: 0.595
local terms energy: -274.979990
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -53.147
flat angles P-C4'-P energy: -51.739
tors. eta vs tors. theta energy: -66.822
Dist. restrs. and SS energy: -203.400 (S_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: 308
Temperature: 1.350000
Total energy: -989.198961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.198961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.998961 (E_RNA)
where:
Base-Base interactions energy: -554.180
where: short stacking energy: -230.597
Base-Backbone interact. energy: 3.088
local terms energy: -250.906469
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -54.606
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1453.131621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.131621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.331621 (E_RNA)
where:
Base-Base interactions energy: -869.100
where: short stacking energy: -357.506
Base-Backbone interact. energy: -4.032
local terms energy: -380.199707
where:
bonds (distance) C4'-P energy: -67.580
bonds (distance) P-C4' energy: -77.545
flat angles C4'-P-C4' energy: -79.080
flat angles P-C4'-P energy: -53.199
tors. eta vs tors. theta energy: -102.795
Dist. restrs. and SS energy: -199.800 (S_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: 309
Temperature: 0.950000
Total energy: -1409.820086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.820086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.020086 (E_RNA)
where:
Base-Base interactions energy: -839.014
where: short stacking energy: -357.104
Base-Backbone interact. energy: -3.147
local terms energy: -358.859849
where:
bonds (distance) C4'-P energy: -59.048
bonds (distance) P-C4' energy: -76.463
flat angles C4'-P-C4' energy: -76.564
flat angles P-C4'-P energy: -50.118
tors. eta vs tors. theta energy: -96.666
Dist. restrs. and SS energy: -208.800 (S_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: 309
Temperature: 1.000000
Total energy: -1417.022536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.022536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.222536 (E_RNA)
where:
Base-Base interactions energy: -851.487
where: short stacking energy: -343.930
Base-Backbone interact. energy: -3.900
local terms energy: -352.835597
where:
bonds (distance) C4'-P energy: -54.815
bonds (distance) P-C4' energy: -67.662
flat angles C4'-P-C4' energy: -75.278
flat angles P-C4'-P energy: -55.759
tors. eta vs tors. theta energy: -99.321
Dist. restrs. and SS energy: -208.800 (S_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: 309
Temperature: 1.050000
Total energy: -1324.548771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.548771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.348771 (E_RNA)
where:
Base-Base interactions energy: -771.809
where: short stacking energy: -305.095
Base-Backbone interact. energy: -0.876
local terms energy: -346.663526
where:
bonds (distance) C4'-P energy: -68.266
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -76.879
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1304.571232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.571232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.371232 (E_RNA)
where:
Base-Base interactions energy: -744.434
where: short stacking energy: -300.824
Base-Backbone interact. energy: -3.665
local terms energy: -342.272232
where:
bonds (distance) C4'-P energy: -67.774
bonds (distance) P-C4' energy: -74.645
flat angles C4'-P-C4' energy: -76.877
flat angles P-C4'-P energy: -41.600
tors. eta vs tors. theta energy: -81.376
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1237.745340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.745340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.545340 (E_RNA)
where:
Base-Base interactions energy: -718.035
where: short stacking energy: -270.330
Base-Backbone interact. energy: -3.125
local terms energy: -302.385047
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -73.627
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -68.418
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1159.435029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.435029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.235029 (E_RNA)
where:
Base-Base interactions energy: -658.834
where: short stacking energy: -262.996
Base-Backbone interact. energy: -2.844
local terms energy: -283.556605
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -73.576
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -65.196
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1166.415684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.415684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.415684 (E_RNA)
where:
Base-Base interactions energy: -672.166
where: short stacking energy: -262.789
Base-Backbone interact. energy: -1.162
local terms energy: -286.088043
where:
bonds (distance) C4'-P energy: -56.331
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -72.489
Dist. restrs. and SS energy: -207.000 (S_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: 309
Temperature: 1.300000
Total energy: -1075.242365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.242365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.042365 (E_RNA)
where:
Base-Base interactions energy: -610.654
where: short stacking energy: -243.089
Base-Backbone interact. energy: -0.114
local terms energy: -250.273822
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -42.137
flat angles C4'-P-C4' energy: -60.459
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -50.758
Dist. restrs. and SS energy: -214.200 (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: 309
Temperature: 1.350000
Total energy: -943.581283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.581283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.581283 (E_RNA)
where:
Base-Base interactions energy: -520.503
where: short stacking energy: -229.738
Base-Backbone interact. energy: -1.956
local terms energy: -250.122013
where:
bonds (distance) C4'-P energy: -57.201
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -45.833
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1462.307899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.307899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.707899 (E_RNA)
where:
Base-Base interactions energy: -872.560
where: short stacking energy: -356.212
Base-Backbone interact. energy: -1.587
local terms energy: -386.560280
where:
bonds (distance) C4'-P energy: -69.179
bonds (distance) P-C4' energy: -73.099
flat angles C4'-P-C4' energy: -75.257
flat angles P-C4'-P energy: -62.200
tors. eta vs tors. theta energy: -106.826
Dist. restrs. and SS energy: -201.600 (S_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: 310
Temperature: 0.950000
Total energy: -1438.388942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.388942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.988942 (E_RNA)
where:
Base-Base interactions energy: -848.244
where: short stacking energy: -343.698
Base-Backbone interact. energy: -3.462
local terms energy: -383.283231
where:
bonds (distance) C4'-P energy: -73.581
bonds (distance) P-C4' energy: -66.682
flat angles C4'-P-C4' energy: -83.771
flat angles P-C4'-P energy: -59.140
tors. eta vs tors. theta energy: -100.109
Dist. restrs. and SS energy: -203.400 (S_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: 310
Temperature: 1.000000
Total energy: -1428.378463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.378463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.778463 (E_RNA)
where:
Base-Base interactions energy: -850.352
where: short stacking energy: -331.667
Base-Backbone interact. energy: -3.561
local terms energy: -363.865821
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -68.522
flat angles C4'-P-C4' energy: -76.810
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -97.982
Dist. restrs. and SS energy: -210.600 (S_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: 310
Temperature: 1.050000
Total energy: -1322.773132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.773132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.973132 (E_RNA)
where:
Base-Base interactions energy: -796.902
where: short stacking energy: -323.485
Base-Backbone interact. energy: 1.555
local terms energy: -318.625539
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -55.566
flat angles C4'-P-C4' energy: -72.114
flat angles P-C4'-P energy: -43.869
tors. eta vs tors. theta energy: -81.228
Dist. restrs. and SS energy: -208.800 (S_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: 310
Temperature: 1.100000
Total energy: -1304.888489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.888489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.688489 (E_RNA)
where:
Base-Base interactions energy: -765.471
where: short stacking energy: -301.022
Base-Backbone interact. energy: 2.673
local terms energy: -327.891026
where:
bonds (distance) C4'-P energy: -63.074
bonds (distance) P-C4' energy: -61.801
flat angles C4'-P-C4' energy: -83.199
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -77.578
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1274.211176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.211176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.811176 (E_RNA)
where:
Base-Base interactions energy: -756.891
where: short stacking energy: -298.096
Base-Backbone interact. energy: 2.197
local terms energy: -307.117386
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -63.431
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -44.261
tors. eta vs tors. theta energy: -74.925
Dist. restrs. and SS energy: -212.400 (S_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: 310
Temperature: 1.200000
Total energy: -1212.972991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.972991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.972991 (E_RNA)
where:
Base-Base interactions energy: -694.551
where: short stacking energy: -288.245
Base-Backbone interact. energy: 4.542
local terms energy: -324.963502
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -66.888
flat angles C4'-P-C4' energy: -72.539
flat angles P-C4'-P energy: -48.833
tors. eta vs tors. theta energy: -76.418
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1133.074905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.074905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.274905 (E_RNA)
where:
Base-Base interactions energy: -661.128
where: short stacking energy: -255.454
Base-Backbone interact. energy: -2.946
local terms energy: -269.200669
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -52.440
flat angles C4'-P-C4' energy: -65.791
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -62.507
Dist. restrs. and SS energy: -199.800 (S_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: 310
Temperature: 1.300000
Total energy: -1071.565184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.565184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.365184 (E_RNA)
where:
Base-Base interactions energy: -590.512
where: short stacking energy: -231.861
Base-Backbone interact. energy: -2.086
local terms energy: -264.767208
where:
bonds (distance) C4'-P energy: -63.281
bonds (distance) P-C4' energy: -58.277
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -41.355
Dist. restrs. and SS energy: -214.200 (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: 310
Temperature: 1.350000
Total energy: -979.119008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.119008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.719008 (E_RNA)
where:
Base-Base interactions energy: -537.747
where: short stacking energy: -230.498
Base-Backbone interact. energy: 3.569
local terms energy: -268.540664
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -65.699
flat angles C4'-P-C4' energy: -56.697
flat angles P-C4'-P energy: -35.439
tors. eta vs tors. theta energy: -52.713
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1474.937256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.937256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.937256 (E_RNA)
where:
Base-Base interactions energy: -905.513
where: short stacking energy: -361.124
Base-Backbone interact. energy: -0.248
local terms energy: -371.176702
where:
bonds (distance) C4'-P energy: -65.999
bonds (distance) P-C4' energy: -75.861
flat angles C4'-P-C4' energy: -77.737
flat angles P-C4'-P energy: -51.469
tors. eta vs tors. theta energy: -100.110
Dist. restrs. and SS energy: -198.000 (S_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: 311
Temperature: 0.950000
Total energy: -1423.201459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.201459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.601459 (E_RNA)
where:
Base-Base interactions energy: -860.234
where: short stacking energy: -340.022
Base-Backbone interact. energy: -1.279
local terms energy: -351.088497
where:
bonds (distance) C4'-P energy: -66.734
bonds (distance) P-C4' energy: -63.902
flat angles C4'-P-C4' energy: -80.718
flat angles P-C4'-P energy: -48.899
tors. eta vs tors. theta energy: -90.835
Dist. restrs. and SS energy: -210.600 (S_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: 311
Temperature: 1.000000
Total energy: -1412.257655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.257655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.057655 (E_RNA)
where:
Base-Base interactions energy: -836.471
where: short stacking energy: -341.781
Base-Backbone interact. energy: -2.559
local terms energy: -368.027921
where:
bonds (distance) C4'-P energy: -65.089
bonds (distance) P-C4' energy: -79.052
flat angles C4'-P-C4' energy: -75.431
flat angles P-C4'-P energy: -52.895
tors. eta vs tors. theta energy: -95.562
Dist. restrs. and SS energy: -205.200 (S_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: 311
Temperature: 1.050000
Total energy: -1294.763419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.763419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.963419 (E_RNA)
where:
Base-Base interactions energy: -754.195
where: short stacking energy: -309.130
Base-Backbone interact. energy: -1.977
local terms energy: -329.792105
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -76.365
flat angles C4'-P-C4' energy: -68.268
flat angles P-C4'-P energy: -45.540
tors. eta vs tors. theta energy: -81.901
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1311.805151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.805151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.805151 (E_RNA)
where:
Base-Base interactions energy: -785.535
where: short stacking energy: -296.527
Base-Backbone interact. energy: -1.798
local terms energy: -317.471703
where:
bonds (distance) C4'-P energy: -55.703
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -74.458
flat angles P-C4'-P energy: -53.364
tors. eta vs tors. theta energy: -72.402
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1270.559166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.559166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.959166 (E_RNA)
where:
Base-Base interactions energy: -746.719
where: short stacking energy: -302.494
Base-Backbone interact. energy: 2.981
local terms energy: -316.221110
where:
bonds (distance) C4'-P energy: -59.497
bonds (distance) P-C4' energy: -68.852
flat angles C4'-P-C4' energy: -76.334
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -70.053
Dist. restrs. and SS energy: -210.600 (S_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: 311
Temperature: 1.200000
Total energy: -1154.280725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.280725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.480725 (E_RNA)
where:
Base-Base interactions energy: -660.586
where: short stacking energy: -271.595
Base-Backbone interact. energy: -2.900
local terms energy: -290.995200
where:
bonds (distance) C4'-P energy: -54.184
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -71.765
flat angles P-C4'-P energy: -42.762
tors. eta vs tors. theta energy: -67.536
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1121.625136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.625136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.025136 (E_RNA)
where:
Base-Base interactions energy: -647.476
where: short stacking energy: -250.640
Base-Backbone interact. energy: 2.794
local terms energy: -275.342457
where:
bonds (distance) C4'-P energy: -63.164
bonds (distance) P-C4' energy: -73.417
flat angles C4'-P-C4' energy: -53.035
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -46.665
Dist. restrs. and SS energy: -201.600 (S_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: 311
Temperature: 1.300000
Total energy: -1091.742725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.742725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.342725 (E_RNA)
where:
Base-Base interactions energy: -609.607
where: short stacking energy: -219.302
Base-Backbone interact. energy: -0.750
local terms energy: -268.985167
where:
bonds (distance) C4'-P energy: -60.083
bonds (distance) P-C4' energy: -64.524
flat angles C4'-P-C4' energy: -64.844
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -51.744
Dist. restrs. and SS energy: -212.400 (S_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: -979.943685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.943685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.343685 (E_RNA)
where:
Base-Base interactions energy: -520.098
where: short stacking energy: -208.578
Base-Backbone interact. energy: -1.017
local terms energy: -284.229036
where:
bonds (distance) C4'-P energy: -59.468
bonds (distance) P-C4' energy: -65.046
flat angles C4'-P-C4' energy: -65.522
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -50.305
Dist. restrs. and SS energy: -174.600 (S_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: -1458.601347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.601347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.001347 (E_RNA)
where:
Base-Base interactions energy: -882.742
where: short stacking energy: -358.342
Base-Backbone interact. energy: -0.335
local terms energy: -364.923879
where:
bonds (distance) C4'-P energy: -71.865
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -86.417
flat angles P-C4'-P energy: -47.630
tors. eta vs tors. theta energy: -94.463
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1435.391066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.391066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.391066 (E_RNA)
where:
Base-Base interactions energy: -854.348
where: short stacking energy: -362.044
Base-Backbone interact. energy: -3.190
local terms energy: -379.852709
where:
bonds (distance) C4'-P energy: -68.736
bonds (distance) P-C4' energy: -63.808
flat angles C4'-P-C4' energy: -89.033
flat angles P-C4'-P energy: -55.161
tors. eta vs tors. theta energy: -103.116
Dist. restrs. and SS energy: -198.000 (S_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: 312
Temperature: 1.000000
Total energy: -1402.144786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.144786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.144786 (E_RNA)
where:
Base-Base interactions energy: -822.416
where: short stacking energy: -348.588
Base-Backbone interact. energy: 1.043
local terms energy: -373.771552
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -72.303
flat angles C4'-P-C4' energy: -85.434
flat angles P-C4'-P energy: -54.663
tors. eta vs tors. theta energy: -99.603
Dist. restrs. and SS energy: -207.000 (S_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: 312
Temperature: 1.050000
Total energy: -1298.900715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.900715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.700715 (E_RNA)
where:
Base-Base interactions energy: -740.572
where: short stacking energy: -292.081
Base-Backbone interact. energy: -2.120
local terms energy: -342.009331
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -78.963
flat angles C4'-P-C4' energy: -72.565
flat angles P-C4'-P energy: -50.303
tors. eta vs tors. theta energy: -74.982
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1313.780074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.780074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.580074 (E_RNA)
where:
Base-Base interactions energy: -783.966
where: short stacking energy: -293.185
Base-Backbone interact. energy: -1.167
local terms energy: -314.447121
where:
bonds (distance) C4'-P energy: -54.366
bonds (distance) P-C4' energy: -74.076
flat angles C4'-P-C4' energy: -61.177
flat angles P-C4'-P energy: -44.283
tors. eta vs tors. theta energy: -80.545
Dist. restrs. and SS energy: -214.200 (S_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: 312
Temperature: 1.150000
Total energy: -1273.349465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.349465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.149465 (E_RNA)
where:
Base-Base interactions energy: -758.683
where: short stacking energy: -307.479
Base-Backbone interact. energy: -0.999
local terms energy: -308.467705
where:
bonds (distance) C4'-P energy: -49.200
bonds (distance) P-C4' energy: -70.251
flat angles C4'-P-C4' energy: -76.534
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -72.882
Dist. restrs. and SS energy: -205.200 (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: 312
Temperature: 1.200000
Total energy: -1160.170124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.170124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.770124 (E_RNA)
where:
Base-Base interactions energy: -655.537
where: short stacking energy: -270.215
Base-Backbone interact. energy: -1.219
local terms energy: -300.014265
where:
bonds (distance) C4'-P energy: -54.759
bonds (distance) P-C4' energy: -60.268
flat angles C4'-P-C4' energy: -69.553
flat angles P-C4'-P energy: -50.494
tors. eta vs tors. theta energy: -64.940
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1159.331844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.331844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.731844 (E_RNA)
where:
Base-Base interactions energy: -647.595
where: short stacking energy: -265.602
Base-Backbone interact. energy: -3.121
local terms energy: -307.015660
where:
bonds (distance) C4'-P energy: -58.062
bonds (distance) P-C4' energy: -75.624
flat angles C4'-P-C4' energy: -64.643
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: -63.337
Dist. restrs. and SS energy: -201.600 (S_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: 312
Temperature: 1.300000
Total energy: -1127.846338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.846338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.046338 (E_RNA)
where:
Base-Base interactions energy: -644.073
where: short stacking energy: -252.878
Base-Backbone interact. energy: -0.780
local terms energy: -274.192729
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -63.834
flat angles C4'-P-C4' energy: -63.020
flat angles P-C4'-P energy: -43.524
tors. eta vs tors. theta energy: -51.698
Dist. restrs. and SS energy: -208.800 (S_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: -950.687230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.687230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.087230 (E_RNA)
where:
Base-Base interactions energy: -501.884
where: short stacking energy: -195.423
Base-Backbone interact. energy: 1.258
local terms energy: -275.461121
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -62.056
flat angles C4'-P-C4' energy: -62.760
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -50.740
Dist. restrs. and SS energy: -174.600 (S_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: -1483.882298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.882298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.882298 (E_RNA)
where:
Base-Base interactions energy: -903.056
where: short stacking energy: -350.846
Base-Backbone interact. energy: -3.724
local terms energy: -370.102230
where:
bonds (distance) C4'-P energy: -74.044
bonds (distance) P-C4' energy: -71.986
flat angles C4'-P-C4' energy: -72.761
flat angles P-C4'-P energy: -57.211
tors. eta vs tors. theta energy: -94.100
Dist. restrs. and SS energy: -207.000 (S_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: 313
Temperature: 0.950000
Total energy: -1407.365812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.365812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.365812 (E_RNA)
where:
Base-Base interactions energy: -827.181
where: short stacking energy: -335.113
Base-Backbone interact. energy: -2.136
local terms energy: -371.049221
where:
bonds (distance) C4'-P energy: -67.814
bonds (distance) P-C4' energy: -72.078
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -54.562
tors. eta vs tors. theta energy: -97.820
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1412.789400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.789400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.989400 (E_RNA)
where:
Base-Base interactions energy: -845.094
where: short stacking energy: -335.994
Base-Backbone interact. energy: -0.988
local terms energy: -366.907428
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -77.540
flat angles C4'-P-C4' energy: -78.468
flat angles P-C4'-P energy: -51.099
tors. eta vs tors. theta energy: -92.305
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1327.764411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.764411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.764411 (E_RNA)
where:
Base-Base interactions energy: -786.210
where: short stacking energy: -299.837
Base-Backbone interact. energy: -4.420
local terms energy: -321.134471
where:
bonds (distance) C4'-P energy: -59.561
bonds (distance) P-C4' energy: -60.504
flat angles C4'-P-C4' energy: -78.609
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -79.746
Dist. restrs. and SS energy: -216.000 (S_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: 313
Temperature: 1.100000
Total energy: -1280.839935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.839935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.039935 (E_RNA)
where:
Base-Base interactions energy: -736.389
where: short stacking energy: -300.904
Base-Backbone interact. energy: 0.978
local terms energy: -336.629628
where:
bonds (distance) C4'-P energy: -65.101
bonds (distance) P-C4' energy: -76.413
flat angles C4'-P-C4' energy: -66.748
flat angles P-C4'-P energy: -50.703
tors. eta vs tors. theta energy: -77.664
Dist. restrs. and SS energy: -208.800 (S_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: 313
Temperature: 1.150000
Total energy: -1269.899939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.899939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.699939 (E_RNA)
where:
Base-Base interactions energy: -744.981
where: short stacking energy: -307.589
Base-Backbone interact. energy: -0.903
local terms energy: -318.815889
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -66.940
flat angles C4'-P-C4' energy: -76.116
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -77.915
Dist. restrs. and SS energy: -205.200 (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: 313
Temperature: 1.200000
Total energy: -1191.882818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.882818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.282818 (E_RNA)
where:
Base-Base interactions energy: -682.252
where: short stacking energy: -280.372
Base-Backbone interact. energy: 3.964
local terms energy: -311.994829
where:
bonds (distance) C4'-P energy: -65.412
bonds (distance) P-C4' energy: -64.222
flat angles C4'-P-C4' energy: -64.813
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -78.906
Dist. restrs. and SS energy: -201.600 (S_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: -1114.719963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.719963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.319963 (E_RNA)
where:
Base-Base interactions energy: -630.191
where: short stacking energy: -250.736
Base-Backbone interact. energy: -0.539
local terms energy: -271.590331
where:
bonds (distance) C4'-P energy: -55.866
bonds (distance) P-C4' energy: -62.055
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -60.032
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1118.345677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.345677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.745677 (E_RNA)
where:
Base-Base interactions energy: -625.318
where: short stacking energy: -232.294
Base-Backbone interact. energy: 1.960
local terms energy: -293.387971
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -72.616
flat angles C4'-P-C4' energy: -71.665
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -50.705
Dist. restrs. and SS energy: -201.600 (S_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: -942.782921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.782921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.582921 (E_RNA)
where:
Base-Base interactions energy: -514.793
where: short stacking energy: -213.483
Base-Backbone interact. energy: 4.174
local terms energy: -262.963705
where:
bonds (distance) C4'-P energy: -58.172
bonds (distance) P-C4' energy: -58.405
flat angles C4'-P-C4' energy: -70.257
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: -169.200 (S_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: 314
Temperature: 0.900000
Total energy: -1490.593145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.593145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.993145 (E_RNA)
where:
Base-Base interactions energy: -898.377
where: short stacking energy: -342.642
Base-Backbone interact. energy: -3.645
local terms energy: -377.970774
where:
bonds (distance) C4'-P energy: -80.713
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -50.201
tors. eta vs tors. theta energy: -93.527
Dist. restrs. and SS energy: -210.600 (S_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: 314
Temperature: 0.950000
Total energy: -1424.563226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.563226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.763226 (E_RNA)
where:
Base-Base interactions energy: -846.049
where: short stacking energy: -349.505
Base-Backbone interact. energy: -0.437
local terms energy: -369.276799
where:
bonds (distance) C4'-P energy: -78.605
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -84.148
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -97.986
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1403.968404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.968404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.368404 (E_RNA)
where:
Base-Base interactions energy: -839.437
where: short stacking energy: -323.068
Base-Backbone interact. energy: -0.856
local terms energy: -362.075232
where:
bonds (distance) C4'-P energy: -59.720
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -79.746
flat angles P-C4'-P energy: -59.086
tors. eta vs tors. theta energy: -95.110
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1337.239289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.239289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.839289 (E_RNA)
where:
Base-Base interactions energy: -773.196
where: short stacking energy: -311.221
Base-Backbone interact. energy: 0.655
local terms energy: -352.298426
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -78.695
flat angles C4'-P-C4' energy: -72.391
flat angles P-C4'-P energy: -63.598
tors. eta vs tors. theta energy: -82.704
Dist. restrs. and SS energy: -212.400 (S_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: 314
Temperature: 1.100000
Total energy: -1279.293434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.293434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.893434 (E_RNA)
where:
Base-Base interactions energy: -731.477
where: short stacking energy: -286.056
Base-Backbone interact. energy: -2.930
local terms energy: -332.485772
where:
bonds (distance) C4'-P energy: -56.652
bonds (distance) P-C4' energy: -72.684
flat angles C4'-P-C4' energy: -73.772
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -77.676
Dist. restrs. and SS energy: -212.400 (S_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: 314
Temperature: 1.150000
Total energy: -1265.108561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.108561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.708561 (E_RNA)
where:
Base-Base interactions energy: -742.814
where: short stacking energy: -293.758
Base-Backbone interact. energy: -1.435
local terms energy: -317.459502
where:
bonds (distance) C4'-P energy: -68.904
bonds (distance) P-C4' energy: -57.700
flat angles C4'-P-C4' energy: -65.377
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -80.966
Dist. restrs. and SS energy: -203.400 (S_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: 314
Temperature: 1.200000
Total energy: -1238.731465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.731465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.931465 (E_RNA)
where:
Base-Base interactions energy: -710.733
where: short stacking energy: -297.029
Base-Backbone interact. energy: -0.970
local terms energy: -318.228360
where:
bonds (distance) C4'-P energy: -51.732
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -67.382
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -85.311
Dist. restrs. and SS energy: -208.800 (S_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: 314
Temperature: 1.250000
Total energy: -1103.115199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.115199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.315199 (E_RNA)
where:
Base-Base interactions energy: -623.235
where: short stacking energy: -258.629
Base-Backbone interact. energy: 2.025
local terms energy: -282.105674
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -68.510
flat angles P-C4'-P energy: -33.526
tors. eta vs tors. theta energy: -65.626
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1096.747310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.747310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.747310 (E_RNA)
where:
Base-Base interactions energy: -634.432
where: short stacking energy: -253.769
Base-Backbone interact. energy: -1.352
local terms energy: -262.963511
where:
bonds (distance) C4'-P energy: -47.960
bonds (distance) P-C4' energy: -64.300
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -28.325
tors. eta vs tors. theta energy: -62.293
Dist. restrs. and SS energy: -198.000 (S_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: 314
Temperature: 1.350000
Total energy: -977.047751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.047751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.447751 (E_RNA)
where:
Base-Base interactions energy: -567.548
where: short stacking energy: -232.622
Base-Backbone interact. energy: -0.426
local terms energy: -243.473510
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -53.584
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -41.082
tors. eta vs tors. theta energy: -46.690
Dist. restrs. and SS energy: -165.600 (S_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: 315
Temperature: 0.900000
Total energy: -1466.342565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.342565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.542565 (E_RNA)
where:
Base-Base interactions energy: -878.876
where: short stacking energy: -359.044
Base-Backbone interact. energy: 1.806
local terms energy: -380.472097
where:
bonds (distance) C4'-P energy: -68.158
bonds (distance) P-C4' energy: -76.298
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -98.433
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1423.150910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.150910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.750910 (E_RNA)
where:
Base-Base interactions energy: -852.053
where: short stacking energy: -343.982
Base-Backbone interact. energy: -3.755
local terms energy: -363.942891
where:
bonds (distance) C4'-P energy: -65.353
bonds (distance) P-C4' energy: -78.079
flat angles C4'-P-C4' energy: -81.471
flat angles P-C4'-P energy: -52.208
tors. eta vs tors. theta energy: -86.832
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1395.843471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.843471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.843471 (E_RNA)
where:
Base-Base interactions energy: -833.009
where: short stacking energy: -337.483
Base-Backbone interact. energy: -2.304
local terms energy: -362.530428
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -74.114
flat angles C4'-P-C4' energy: -79.218
flat angles P-C4'-P energy: -50.912
tors. eta vs tors. theta energy: -96.213
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1335.735367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.735367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.535367 (E_RNA)
where:
Base-Base interactions energy: -788.665
where: short stacking energy: -303.995
Base-Backbone interact. energy: -1.898
local terms energy: -330.971678
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -48.135
tors. eta vs tors. theta energy: -84.064
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1231.154544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.154544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.354544 (E_RNA)
where:
Base-Base interactions energy: -719.111
where: short stacking energy: -276.251
Base-Backbone interact. energy: -0.180
local terms energy: -312.063990
where:
bonds (distance) C4'-P energy: -57.475
bonds (distance) P-C4' energy: -69.784
flat angles C4'-P-C4' energy: -71.553
flat angles P-C4'-P energy: -45.363
tors. eta vs tors. theta energy: -67.888
Dist. restrs. and SS energy: -199.800 (S_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: 315
Temperature: 1.150000
Total energy: -1266.257063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.257063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.657063 (E_RNA)
where:
Base-Base interactions energy: -741.056
where: short stacking energy: -300.778
Base-Backbone interact. energy: -1.899
local terms energy: -321.702661
where:
bonds (distance) C4'-P energy: -73.982
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -71.143
flat angles P-C4'-P energy: -38.258
tors. eta vs tors. theta energy: -70.890
Dist. restrs. and SS energy: -201.600 (S_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: 315
Temperature: 1.200000
Total energy: -1182.336652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.336652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.736652 (E_RNA)
where:
Base-Base interactions energy: -674.896
where: short stacking energy: -288.108
Base-Backbone interact. energy: 0.797
local terms energy: -306.638303
where:
bonds (distance) C4'-P energy: -70.828
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: -66.879
Dist. restrs. and SS energy: -201.600 (S_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: 315
Temperature: 1.250000
Total energy: -1137.935412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.935412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.735412 (E_RNA)
where:
Base-Base interactions energy: -640.184
where: short stacking energy: -280.051
Base-Backbone interact. energy: 0.204
local terms energy: -301.755462
where:
bonds (distance) C4'-P energy: -73.724
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -32.682
tors. eta vs tors. theta energy: -58.907
Dist. restrs. and SS energy: -196.200 (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: 315
Temperature: 1.300000
Total energy: -1099.367483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.367483 (E_RNA)
where:
Base-Base interactions energy: -623.140
where: short stacking energy: -242.043
Base-Backbone interact. energy: 1.532
local terms energy: -270.760021
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -54.412
flat angles C4'-P-C4' energy: -61.928
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -52.526
Dist. restrs. and SS energy: -207.000 (S_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: 315
Temperature: 1.350000
Total energy: -953.576759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.576759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.376759 (E_RNA)
where:
Base-Base interactions energy: -529.057
where: short stacking energy: -192.943
Base-Backbone interact. energy: -2.073
local terms energy: -253.246528
where:
bonds (distance) C4'-P energy: -56.808
bonds (distance) P-C4' energy: -61.256
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -33.108
tors. eta vs tors. theta energy: -43.122
Dist. restrs. and SS energy: -169.200 (S_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: 316
Temperature: 0.900000
Total energy: -1484.813576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.813576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.013576 (E_RNA)
where:
Base-Base interactions energy: -894.123
where: short stacking energy: -360.849
Base-Backbone interact. energy: -4.856
local terms energy: -377.035464
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -77.781
flat angles C4'-P-C4' energy: -74.992
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: -99.228
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1424.094932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.094932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.494932 (E_RNA)
where:
Base-Base interactions energy: -828.318
where: short stacking energy: -343.892
Base-Backbone interact. energy: -1.771
local terms energy: -392.406176
where:
bonds (distance) C4'-P energy: -76.900
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -80.770
flat angles P-C4'-P energy: -59.389
tors. eta vs tors. theta energy: -95.724
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1392.338254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.338254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.538254 (E_RNA)
where:
Base-Base interactions energy: -840.940
where: short stacking energy: -323.507
Base-Backbone interact. energy: -0.994
local terms energy: -350.605079
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -66.934
flat angles C4'-P-C4' energy: -73.852
flat angles P-C4'-P energy: -53.043
tors. eta vs tors. theta energy: -90.586
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1343.176857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.176857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.776857 (E_RNA)
where:
Base-Base interactions energy: -789.309
where: short stacking energy: -304.851
Base-Backbone interact. energy: -2.514
local terms energy: -338.953916
where:
bonds (distance) C4'-P energy: -64.383
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -78.145
flat angles P-C4'-P energy: -46.376
tors. eta vs tors. theta energy: -79.913
Dist. restrs. and SS energy: -212.400 (S_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: 316
Temperature: 1.100000
Total energy: -1284.910131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.910131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.510131 (E_RNA)
where:
Base-Base interactions energy: -725.997
where: short stacking energy: -302.779
Base-Backbone interact. energy: -2.917
local terms energy: -352.595474
where:
bonds (distance) C4'-P energy: -61.774
bonds (distance) P-C4' energy: -76.258
flat angles C4'-P-C4' energy: -81.667
flat angles P-C4'-P energy: -57.516
tors. eta vs tors. theta energy: -75.381
Dist. restrs. and SS energy: -203.400 (S_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: 316
Temperature: 1.150000
Total energy: -1217.807723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.807723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.007723 (E_RNA)
where:
Base-Base interactions energy: -703.983
where: short stacking energy: -274.732
Base-Backbone interact. energy: 0.101
local terms energy: -305.125567
where:
bonds (distance) C4'-P energy: -61.710
bonds (distance) P-C4' energy: -65.617
flat angles C4'-P-C4' energy: -67.046
flat angles P-C4'-P energy: -46.802
tors. eta vs tors. theta energy: -63.951
Dist. restrs. and SS energy: -208.800 (S_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: 316
Temperature: 1.200000
Total energy: -1184.187419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.187419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.387419 (E_RNA)
where:
Base-Base interactions energy: -669.253
where: short stacking energy: -268.092
Base-Backbone interact. energy: 4.838
local terms energy: -310.972398
where:
bonds (distance) C4'-P energy: -67.131
bonds (distance) P-C4' energy: -63.445
flat angles C4'-P-C4' energy: -69.771
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -67.758
Dist. restrs. and SS energy: -208.800 (S_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: -1111.613542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.613542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.413542 (E_RNA)
where:
Base-Base interactions energy: -614.463
where: short stacking energy: -258.145
Base-Backbone interact. energy: -0.343
local terms energy: -300.608167
where:
bonds (distance) C4'-P energy: -69.137
bonds (distance) P-C4' energy: -60.586
flat angles C4'-P-C4' energy: -63.244
flat angles P-C4'-P energy: -42.992
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: -196.200 (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: 316
Temperature: 1.300000
Total energy: -1112.558182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.558182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.358182 (E_RNA)
where:
Base-Base interactions energy: -647.971
where: short stacking energy: -263.546
Base-Backbone interact. energy: -1.972
local terms energy: -257.415466
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -42.513
flat angles C4'-P-C4' energy: -72.610
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: -59.244
Dist. restrs. and SS energy: -205.200 (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: 316
Temperature: 1.350000
Total energy: -971.336186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.336186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.336186 (E_RNA)
where:
Base-Base interactions energy: -547.639
where: short stacking energy: -215.290
Base-Backbone interact. energy: -0.419
local terms energy: -252.278091
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -52.718
flat angles C4'-P-C4' energy: -69.795
flat angles P-C4'-P energy: -41.928
tors. eta vs tors. theta energy: -37.002
Dist. restrs. and SS energy: -171.000 (S_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: 317
Temperature: 0.900000
Total energy: -1469.588761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.588761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.788761 (E_RNA)
where:
Base-Base interactions energy: -879.697
where: short stacking energy: -362.502
Base-Backbone interact. energy: -0.323
local terms energy: -380.767914
where:
bonds (distance) C4'-P energy: -68.714
bonds (distance) P-C4' energy: -70.018
flat angles C4'-P-C4' energy: -85.871
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -97.381
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1402.306314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.306314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.106314 (E_RNA)
where:
Base-Base interactions energy: -839.735
where: short stacking energy: -328.558
Base-Backbone interact. energy: -2.403
local terms energy: -363.968235
where:
bonds (distance) C4'-P energy: -70.588
bonds (distance) P-C4' energy: -73.530
flat angles C4'-P-C4' energy: -80.772
flat angles P-C4'-P energy: -57.049
tors. eta vs tors. theta energy: -82.028
Dist. restrs. and SS energy: -196.200 (S_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: 317
Temperature: 1.000000
Total energy: -1387.643845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.643845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.243845 (E_RNA)
where:
Base-Base interactions energy: -837.895
where: short stacking energy: -330.456
Base-Backbone interact. energy: -2.194
local terms energy: -344.154808
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -83.478
flat angles P-C4'-P energy: -56.350
tors. eta vs tors. theta energy: -95.236
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1333.403127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.403127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.203127 (E_RNA)
where:
Base-Base interactions energy: -778.285
where: short stacking energy: -311.237
Base-Backbone interact. energy: -0.109
local terms energy: -340.809040
where:
bonds (distance) C4'-P energy: -72.467
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -73.862
flat angles P-C4'-P energy: -54.280
tors. eta vs tors. theta energy: -78.829
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1300.440295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.440295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.040295 (E_RNA)
where:
Base-Base interactions energy: -758.159
where: short stacking energy: -302.675
Base-Backbone interact. energy: -1.040
local terms energy: -337.841379
where:
bonds (distance) C4'-P energy: -63.435
bonds (distance) P-C4' energy: -69.584
flat angles C4'-P-C4' energy: -81.830
flat angles P-C4'-P energy: -43.392
tors. eta vs tors. theta energy: -79.602
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1188.370383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.370383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.170383 (E_RNA)
where:
Base-Base interactions energy: -694.084
where: short stacking energy: -281.217
Base-Backbone interact. energy: -0.769
local terms energy: -288.317158
where:
bonds (distance) C4'-P energy: -53.558
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -67.976
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1159.324995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.324995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.924995 (E_RNA)
where:
Base-Base interactions energy: -653.369
where: short stacking energy: -249.538
Base-Backbone interact. energy: 1.327
local terms energy: -303.882567
where:
bonds (distance) C4'-P energy: -65.907
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -63.469
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: -60.334
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1147.464193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.464193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.864193 (E_RNA)
where:
Base-Base interactions energy: -650.980
where: short stacking energy: -260.198
Base-Backbone interact. energy: -0.321
local terms energy: -294.563537
where:
bonds (distance) C4'-P energy: -70.243
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -63.903
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -51.191
Dist. restrs. and SS energy: -201.600 (S_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: -1099.308810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.308810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.908810 (E_RNA)
where:
Base-Base interactions energy: -624.322
where: short stacking energy: -242.602
Base-Backbone interact. energy: 0.470
local terms energy: -281.056368
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -72.203
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: -54.877
Dist. restrs. and SS energy: -194.400 (S_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: -991.011854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.011854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.811854 (E_RNA)
where:
Base-Base interactions energy: -538.633
where: short stacking energy: -201.759
Base-Backbone interact. energy: 1.028
local terms energy: -275.207352
where:
bonds (distance) C4'-P energy: -43.284
bonds (distance) P-C4' energy: -71.084
flat angles C4'-P-C4' energy: -72.508
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -49.316
Dist. restrs. and SS energy: -178.200 (S_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: -1494.454261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.454261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.654261 (E_RNA)
where:
Base-Base interactions energy: -892.334
where: short stacking energy: -364.152
Base-Backbone interact. energy: -4.196
local terms energy: -389.124218
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -70.593
flat angles C4'-P-C4' energy: -84.703
flat angles P-C4'-P energy: -62.215
tors. eta vs tors. theta energy: -102.786
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1399.195316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.195316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.195316 (E_RNA)
where:
Base-Base interactions energy: -844.496
where: short stacking energy: -350.736
Base-Backbone interact. energy: 0.343
local terms energy: -357.042378
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -62.990
flat angles C4'-P-C4' energy: -82.561
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -98.863
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1362.777138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.777138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.577138 (E_RNA)
where:
Base-Base interactions energy: -790.266
where: short stacking energy: -327.270
Base-Backbone interact. energy: -0.777
local terms energy: -357.533908
where:
bonds (distance) C4'-P energy: -69.450
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -69.624
flat angles P-C4'-P energy: -54.578
tors. eta vs tors. theta energy: -88.177
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1357.226033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.226033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.426033 (E_RNA)
where:
Base-Base interactions energy: -811.761
where: short stacking energy: -316.856
Base-Backbone interact. energy: -4.353
local terms energy: -332.312197
where:
bonds (distance) C4'-P energy: -54.515
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -84.698
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1291.014865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.014865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.614865 (E_RNA)
where:
Base-Base interactions energy: -751.495
where: short stacking energy: -286.435
Base-Backbone interact. energy: -2.091
local terms energy: -334.028712
where:
bonds (distance) C4'-P energy: -73.690
bonds (distance) P-C4' energy: -73.845
flat angles C4'-P-C4' energy: -67.990
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -72.433
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1218.055053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.055053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.055053 (E_RNA)
where:
Base-Base interactions energy: -719.187
where: short stacking energy: -310.214
Base-Backbone interact. energy: 2.138
local terms energy: -294.006496
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -57.730
flat angles C4'-P-C4' energy: -72.361
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: -78.321
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1140.087944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.087944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.687944 (E_RNA)
where:
Base-Base interactions energy: -674.636
where: short stacking energy: -267.222
Base-Backbone interact. energy: -0.137
local terms energy: -252.914511
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -61.756
flat angles C4'-P-C4' energy: -63.401
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1175.237124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.237124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.437124 (E_RNA)
where:
Base-Base interactions energy: -650.417
where: short stacking energy: -271.695
Base-Backbone interact. energy: -0.067
local terms energy: -324.953319
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -69.579
flat angles C4'-P-C4' energy: -69.209
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -80.514
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1004.017382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.017382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.617382 (E_RNA)
where:
Base-Base interactions energy: -547.875
where: short stacking energy: -235.145
Base-Backbone interact. energy: 3.999
local terms energy: -274.741586
where:
bonds (distance) C4'-P energy: -57.001
bonds (distance) P-C4' energy: -62.128
flat angles C4'-P-C4' energy: -59.748
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -48.970
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1059.126588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.126588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.526588 (E_RNA)
where:
Base-Base interactions energy: -581.118
where: short stacking energy: -232.490
Base-Backbone interact. energy: 0.277
local terms energy: -285.685945
where:
bonds (distance) C4'-P energy: -60.341
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -73.314
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -52.752
Dist. restrs. and SS energy: -192.600 (S_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: -1472.039258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.039258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.239258 (E_RNA)
where:
Base-Base interactions energy: -883.380
where: short stacking energy: -349.941
Base-Backbone interact. energy: -3.797
local terms energy: -376.063018
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -84.589
flat angles P-C4'-P energy: -55.708
tors. eta vs tors. theta energy: -97.420
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1412.134399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.134399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.934399 (E_RNA)
where:
Base-Base interactions energy: -844.564
where: short stacking energy: -334.098
Base-Backbone interact. energy: 3.720
local terms energy: -375.089748
where:
bonds (distance) C4'-P energy: -73.704
bonds (distance) P-C4' energy: -72.274
flat angles C4'-P-C4' energy: -81.379
flat angles P-C4'-P energy: -50.378
tors. eta vs tors. theta energy: -97.355
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1325.907683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.907683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.907683 (E_RNA)
where:
Base-Base interactions energy: -778.098
where: short stacking energy: -320.009
Base-Backbone interact. energy: -3.996
local terms energy: -327.814270
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -73.008
flat angles C4'-P-C4' energy: -70.145
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -80.179
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1382.588987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.588987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.388987 (E_RNA)
where:
Base-Base interactions energy: -803.075
where: short stacking energy: -331.355
Base-Backbone interact. energy: -1.885
local terms energy: -372.429401
where:
bonds (distance) C4'-P energy: -67.791
bonds (distance) P-C4' energy: -72.778
flat angles C4'-P-C4' energy: -84.724
flat angles P-C4'-P energy: -49.314
tors. eta vs tors. theta energy: -97.822
Dist. restrs. and SS energy: -205.200 (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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1298.550248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.550248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.950248 (E_RNA)
where:
Base-Base interactions energy: -758.051
where: short stacking energy: -303.949
Base-Backbone interact. energy: -1.209
local terms energy: -337.690417
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -75.806
flat angles C4'-P-C4' energy: -76.674
flat angles P-C4'-P energy: -46.916
tors. eta vs tors. theta energy: -84.496
Dist. restrs. and SS energy: -201.600 (S_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: -1247.040313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.040313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.240313 (E_RNA)
where:
Base-Base interactions energy: -706.401
where: short stacking energy: -293.912
Base-Backbone interact. energy: -1.806
local terms energy: -321.033600
where:
bonds (distance) C4'-P energy: -67.716
bonds (distance) P-C4' energy: -65.230
flat angles C4'-P-C4' energy: -66.078
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -71.672
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1193.875153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.875153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.675153 (E_RNA)
where:
Base-Base interactions energy: -673.013
where: short stacking energy: -277.353
Base-Backbone interact. energy: -0.082
local terms energy: -315.580647
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -69.695
flat angles C4'-P-C4' energy: -69.876
flat angles P-C4'-P energy: -44.167
tors. eta vs tors. theta energy: -74.123
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1170.741200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.741200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.741200 (E_RNA)
where:
Base-Base interactions energy: -693.360
where: short stacking energy: -275.910
Base-Backbone interact. energy: -2.535
local terms energy: -276.846568
where:
bonds (distance) C4'-P energy: -63.091
bonds (distance) P-C4' energy: -59.831
flat angles C4'-P-C4' energy: -55.456
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -68.585
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1018.435524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.435524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.435524 (E_RNA)
where:
Base-Base interactions energy: -559.740
where: short stacking energy: -237.747
Base-Backbone interact. energy: -1.595
local terms energy: -268.100320
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -64.107
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -57.152
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1060.934524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.934524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.534524 (E_RNA)
where:
Base-Base interactions energy: -586.754
where: short stacking energy: -233.275
Base-Backbone interact. energy: -0.383
local terms energy: -279.397564
where:
bonds (distance) C4'-P energy: -56.079
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -34.993
tors. eta vs tors. theta energy: -58.935
Dist. restrs. and SS energy: -194.400 (S_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: 320
Temperature: 0.900000
Total energy: -1476.441509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.441509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.641509 (E_RNA)
where:
Base-Base interactions energy: -884.692
where: short stacking energy: -355.229
Base-Backbone interact. energy: -2.914
local terms energy: -380.035889
where:
bonds (distance) C4'-P energy: -78.380
bonds (distance) P-C4' energy: -64.054
flat angles C4'-P-C4' energy: -86.051
flat angles P-C4'-P energy: -58.941
tors. eta vs tors. theta energy: -92.610
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1379.873555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.873555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.273555 (E_RNA)
where:
Base-Base interactions energy: -828.945
where: short stacking energy: -342.829
Base-Backbone interact. energy: -2.202
local terms energy: -347.126765
where:
bonds (distance) C4'-P energy: -67.229
bonds (distance) P-C4' energy: -71.933
flat angles C4'-P-C4' energy: -77.584
flat angles P-C4'-P energy: -39.688
tors. eta vs tors. theta energy: -90.692
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1366.465262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.465262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.065262 (E_RNA)
where:
Base-Base interactions energy: -806.761
where: short stacking energy: -310.791
Base-Backbone interact. energy: -1.783
local terms energy: -345.522095
where:
bonds (distance) C4'-P energy: -69.261
bonds (distance) P-C4' energy: -70.472
flat angles C4'-P-C4' energy: -74.959
flat angles P-C4'-P energy: -48.872
tors. eta vs tors. theta energy: -81.958
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1353.384827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.384827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.984827 (E_RNA)
where:
Base-Base interactions energy: -797.220
where: short stacking energy: -327.523
Base-Backbone interact. energy: -1.370
local terms energy: -351.394787
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -66.849
flat angles C4'-P-C4' energy: -78.104
flat angles P-C4'-P energy: -52.613
tors. eta vs tors. theta energy: -87.901
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1309.250577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.250577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.850577 (E_RNA)
where:
Base-Base interactions energy: -748.472
where: short stacking energy: -295.547
Base-Backbone interact. energy: -0.465
local terms energy: -356.912730
where:
bonds (distance) C4'-P energy: -75.890
bonds (distance) P-C4' energy: -71.303
flat angles C4'-P-C4' energy: -82.395
flat angles P-C4'-P energy: -54.339
tors. eta vs tors. theta energy: -72.985
Dist. restrs. and SS energy: -203.400 (S_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: 320
Temperature: 1.150000
Total energy: -1215.835108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.835108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.235108 (E_RNA)
where:
Base-Base interactions energy: -705.837
where: short stacking energy: -304.313
Base-Backbone interact. energy: -1.665
local terms energy: -297.733294
where:
bonds (distance) C4'-P energy: -49.496
bonds (distance) P-C4' energy: -44.968
flat angles C4'-P-C4' energy: -82.196
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -80.705
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1195.360117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.360117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.160117 (E_RNA)
where:
Base-Base interactions energy: -709.959
where: short stacking energy: -282.114
Base-Backbone interact. energy: 1.282
local terms energy: -290.483209
where:
bonds (distance) C4'-P energy: -61.973
bonds (distance) P-C4' energy: -56.148
flat angles C4'-P-C4' energy: -76.026
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -66.305
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1165.969971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.969971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.769971 (E_RNA)
where:
Base-Base interactions energy: -669.984
where: short stacking energy: -272.295
Base-Backbone interact. energy: -1.135
local terms energy: -289.650429
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -67.705
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1118.354856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.354856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.554856 (E_RNA)
where:
Base-Base interactions energy: -643.344
where: short stacking energy: -273.839
Base-Backbone interact. energy: -1.623
local terms energy: -282.587629
where:
bonds (distance) C4'-P energy: -51.527
bonds (distance) P-C4' energy: -54.885
flat angles C4'-P-C4' energy: -70.921
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -70.241
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -996.434921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.434921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.034921 (E_RNA)
where:
Base-Base interactions energy: -538.764
where: short stacking energy: -231.001
Base-Backbone interact. energy: 2.351
local terms energy: -283.621443
where:
bonds (distance) C4'-P energy: -74.165
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -61.090
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -59.757
Dist. restrs. and SS energy: -176.400 (S_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: 321
Temperature: 0.900000
Total energy: -1475.004948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.004948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.404948 (E_RNA)
where:
Base-Base interactions energy: -868.099
where: short stacking energy: -356.832
Base-Backbone interact. energy: -1.260
local terms energy: -395.046240
where:
bonds (distance) C4'-P energy: -68.756
bonds (distance) P-C4' energy: -84.339
flat angles C4'-P-C4' energy: -83.434
flat angles P-C4'-P energy: -62.931
tors. eta vs tors. theta energy: -95.587
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1413.185918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.185918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.385918 (E_RNA)
where:
Base-Base interactions energy: -853.840
where: short stacking energy: -343.427
Base-Backbone interact. energy: 0.692
local terms energy: -360.237963
where:
bonds (distance) C4'-P energy: -68.873
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -56.919
tors. eta vs tors. theta energy: -95.297
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1357.675546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.675546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.275546 (E_RNA)
where:
Base-Base interactions energy: -800.445
where: short stacking energy: -317.599
Base-Backbone interact. energy: -2.970
local terms energy: -341.860976
where:
bonds (distance) C4'-P energy: -72.922
bonds (distance) P-C4' energy: -69.466
flat angles C4'-P-C4' energy: -78.301
flat angles P-C4'-P energy: -46.729
tors. eta vs tors. theta energy: -74.443
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1363.382883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.382883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.382883 (E_RNA)
where:
Base-Base interactions energy: -820.912
where: short stacking energy: -336.493
Base-Backbone interact. energy: -0.345
local terms energy: -335.125975
where:
bonds (distance) C4'-P energy: -66.932
bonds (distance) P-C4' energy: -67.687
flat angles C4'-P-C4' energy: -77.098
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -75.578
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1303.399377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.399377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.199377 (E_RNA)
where:
Base-Base interactions energy: -764.041
where: short stacking energy: -303.770
Base-Backbone interact. energy: -0.579
local terms energy: -342.578764
where:
bonds (distance) C4'-P energy: -67.235
bonds (distance) P-C4' energy: -69.957
flat angles C4'-P-C4' energy: -66.107
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -89.063
Dist. restrs. and SS energy: -196.200 (S_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: 321
Temperature: 1.150000
Total energy: -1224.919295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.919295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.119295 (E_RNA)
where:
Base-Base interactions energy: -725.174
where: short stacking energy: -296.052
Base-Backbone interact. energy: -1.647
local terms energy: -298.299139
where:
bonds (distance) C4'-P energy: -66.056
bonds (distance) P-C4' energy: -50.187
flat angles C4'-P-C4' energy: -61.955
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -78.643
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1170.134915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.134915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.734915 (E_RNA)
where:
Base-Base interactions energy: -661.065
where: short stacking energy: -261.405
Base-Backbone interact. energy: 0.618
local terms energy: -297.287097
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -50.548
flat angles C4'-P-C4' energy: -64.382
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -73.400
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1130.918594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.918594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.718594 (E_RNA)
where:
Base-Base interactions energy: -614.143
where: short stacking energy: -252.889
Base-Backbone interact. energy: -1.170
local terms energy: -310.405323
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -79.684
flat angles P-C4'-P energy: -52.886
tors. eta vs tors. theta energy: -62.206
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1086.926985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.926985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.526985 (E_RNA)
where:
Base-Base interactions energy: -608.470
where: short stacking energy: -244.250
Base-Backbone interact. energy: -0.699
local terms energy: -283.357764
where:
bonds (distance) C4'-P energy: -67.690
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -65.406
flat angles P-C4'-P energy: -37.266
tors. eta vs tors. theta energy: -55.499
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -959.264211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.264211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.864211 (E_RNA)
where:
Base-Base interactions energy: -526.190
where: short stacking energy: -213.635
Base-Backbone interact. energy: -3.823
local terms energy: -252.851310
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -69.254
flat angles C4'-P-C4' energy: -58.668
flat angles P-C4'-P energy: -31.203
tors. eta vs tors. theta energy: -49.872
Dist. restrs. and SS energy: -176.400 (S_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: 322
Temperature: 0.900000
Total energy: -1464.945398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.945398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.745398 (E_RNA)
where:
Base-Base interactions energy: -879.545
where: short stacking energy: -352.521
Base-Backbone interact. energy: 0.565
local terms energy: -380.765033
where:
bonds (distance) C4'-P energy: -68.480
bonds (distance) P-C4' energy: -74.035
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -53.782
tors. eta vs tors. theta energy: -99.516
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1417.530457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.530457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.930457 (E_RNA)
where:
Base-Base interactions energy: -870.048
where: short stacking energy: -350.153
Base-Backbone interact. energy: 1.124
local terms energy: -347.005988
where:
bonds (distance) C4'-P energy: -70.936
bonds (distance) P-C4' energy: -61.740
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -49.533
tors. eta vs tors. theta energy: -95.267
Dist. restrs. and SS energy: -201.600 (S_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: 322
Temperature: 1.000000
Total energy: -1399.222958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.222958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.822958 (E_RNA)
where:
Base-Base interactions energy: -836.623
where: short stacking energy: -345.414
Base-Backbone interact. energy: 3.267
local terms energy: -362.466573
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -75.232
flat angles C4'-P-C4' energy: -71.223
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -95.006
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1336.958392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.958392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.758392 (E_RNA)
where:
Base-Base interactions energy: -804.904
where: short stacking energy: -305.967
Base-Backbone interact. energy: -2.450
local terms energy: -315.404123
where:
bonds (distance) C4'-P energy: -58.984
bonds (distance) P-C4' energy: -59.697
flat angles C4'-P-C4' energy: -71.145
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -84.616
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1288.555758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.555758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.755758 (E_RNA)
where:
Base-Base interactions energy: -744.907
where: short stacking energy: -306.529
Base-Backbone interact. energy: -1.437
local terms energy: -333.411665
where:
bonds (distance) C4'-P energy: -65.527
bonds (distance) P-C4' energy: -62.975
flat angles C4'-P-C4' energy: -78.912
flat angles P-C4'-P energy: -52.555
tors. eta vs tors. theta energy: -73.442
Dist. restrs. and SS energy: -208.800 (S_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: 322
Temperature: 1.150000
Total energy: -1226.126979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.126979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.926979 (E_RNA)
where:
Base-Base interactions energy: -695.658
where: short stacking energy: -293.582
Base-Backbone interact. energy: -1.133
local terms energy: -333.136045
where:
bonds (distance) C4'-P energy: -62.798
bonds (distance) P-C4' energy: -73.105
flat angles C4'-P-C4' energy: -71.429
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: -78.584
Dist. restrs. and SS energy: -196.200 (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: 322
Temperature: 1.200000
Total energy: -1167.662837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.662837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.862837 (E_RNA)
where:
Base-Base interactions energy: -677.096
where: short stacking energy: -283.322
Base-Backbone interact. energy: -1.549
local terms energy: -289.217473
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -61.454
flat angles P-C4'-P energy: -35.562
tors. eta vs tors. theta energy: -68.926
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1157.442429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.442429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.442429 (E_RNA)
where:
Base-Base interactions energy: -670.459
where: short stacking energy: -258.271
Base-Backbone interact. energy: -1.883
local terms energy: -278.100170
where:
bonds (distance) C4'-P energy: -38.044
bonds (distance) P-C4' energy: -62.314
flat angles C4'-P-C4' energy: -66.244
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -71.992
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1153.284313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.284313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.884313 (E_RNA)
where:
Base-Base interactions energy: -656.578
where: short stacking energy: -252.091
Base-Backbone interact. energy: -0.577
local terms energy: -292.728977
where:
bonds (distance) C4'-P energy: -58.097
bonds (distance) P-C4' energy: -64.162
flat angles C4'-P-C4' energy: -74.747
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -55.663
Dist. restrs. and SS energy: -203.400 (S_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: -988.990327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.990327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.390327 (E_RNA)
where:
Base-Base interactions energy: -543.173
where: short stacking energy: -218.742
Base-Backbone interact. energy: -2.545
local terms energy: -250.672114
where:
bonds (distance) C4'-P energy: -61.093
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: -192.600 (S_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: 323
Temperature: 0.900000
Total energy: -1468.652939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.652939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.052939 (E_RNA)
where:
Base-Base interactions energy: -888.736
where: short stacking energy: -348.918
Base-Backbone interact. energy: -2.688
local terms energy: -366.629204
where:
bonds (distance) C4'-P energy: -75.939
bonds (distance) P-C4' energy: -69.105
flat angles C4'-P-C4' energy: -80.113
flat angles P-C4'-P energy: -54.546
tors. eta vs tors. theta energy: -86.925
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1410.344395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.344395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.544395 (E_RNA)
where:
Base-Base interactions energy: -853.944
where: short stacking energy: -346.013
Base-Backbone interact. energy: 0.035
local terms energy: -356.635695
where:
bonds (distance) C4'-P energy: -64.885
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -79.659
flat angles P-C4'-P energy: -50.413
tors. eta vs tors. theta energy: -93.981
Dist. restrs. and SS energy: -199.800 (S_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: -1383.442652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.442652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.642652 (E_RNA)
where:
Base-Base interactions energy: -831.308
where: short stacking energy: -342.162
Base-Backbone interact. energy: -2.307
local terms energy: -341.027457
where:
bonds (distance) C4'-P energy: -58.951
bonds (distance) P-C4' energy: -64.065
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -95.829
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1356.329224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.329224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.529224 (E_RNA)
where:
Base-Base interactions energy: -780.842
where: short stacking energy: -331.453
Base-Backbone interact. energy: -1.240
local terms energy: -365.446612
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -61.469
tors. eta vs tors. theta energy: -97.072
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1326.379065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.379065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.379065 (E_RNA)
where:
Base-Base interactions energy: -780.531
where: short stacking energy: -309.596
Base-Backbone interact. energy: 1.813
local terms energy: -331.661975
where:
bonds (distance) C4'-P energy: -62.272
bonds (distance) P-C4' energy: -62.837
flat angles C4'-P-C4' energy: -82.983
flat angles P-C4'-P energy: -44.798
tors. eta vs tors. theta energy: -78.771
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1211.675414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.675414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.875414 (E_RNA)
where:
Base-Base interactions energy: -701.923
where: short stacking energy: -288.454
Base-Backbone interact. energy: -1.383
local terms energy: -299.569915
where:
bonds (distance) C4'-P energy: -56.130
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -71.946
Dist. restrs. and SS energy: -208.800 (S_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: -1186.612801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.612801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.612801 (E_RNA)
where:
Base-Base interactions energy: -679.767
where: short stacking energy: -254.285
Base-Backbone interact. energy: -1.134
local terms energy: -307.711692
where:
bonds (distance) C4'-P energy: -58.692
bonds (distance) P-C4' energy: -66.695
flat angles C4'-P-C4' energy: -75.572
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -71.631
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1153.922968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.922968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.522968 (E_RNA)
where:
Base-Base interactions energy: -651.827
where: short stacking energy: -280.840
Base-Backbone interact. energy: -3.425
local terms energy: -295.270992
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -60.668
flat angles C4'-P-C4' energy: -67.766
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -73.883
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1114.321854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.321854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.521854 (E_RNA)
where:
Base-Base interactions energy: -647.437
where: short stacking energy: -261.874
Base-Backbone interact. energy: 1.013
local terms energy: -268.096936
where:
bonds (distance) C4'-P energy: -64.730
bonds (distance) P-C4' energy: -43.886
flat angles C4'-P-C4' energy: -62.984
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -55.123
Dist. restrs. and SS energy: -199.800 (S_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: -1000.003491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.003491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.003491 (E_RNA)
where:
Base-Base interactions energy: -551.088
where: short stacking energy: -237.777
Base-Backbone interact. energy: 0.515
local terms energy: -260.430506
where:
bonds (distance) C4'-P energy: -57.419
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -67.858
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: -50.618
Dist. restrs. and SS energy: -189.000 (S_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: -1477.357095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.357095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.557095 (E_RNA)
where:
Base-Base interactions energy: -881.567
where: short stacking energy: -352.467
Base-Backbone interact. energy: -5.573
local terms energy: -381.417424
where:
bonds (distance) C4'-P energy: -72.587
bonds (distance) P-C4' energy: -78.596
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -57.566
tors. eta vs tors. theta energy: -96.101
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1398.153711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.153711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.153711 (E_RNA)
where:
Base-Base interactions energy: -843.605
where: short stacking energy: -345.873
Base-Backbone interact. energy: -2.211
local terms energy: -354.337343
where:
bonds (distance) C4'-P energy: -58.722
bonds (distance) P-C4' energy: -66.869
flat angles C4'-P-C4' energy: -73.163
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -104.391
Dist. restrs. and SS energy: -198.000 (S_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: -1386.959397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.959397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.759397 (E_RNA)
where:
Base-Base interactions energy: -817.568
where: short stacking energy: -326.900
Base-Backbone interact. energy: -2.237
local terms energy: -361.954493
where:
bonds (distance) C4'-P energy: -67.138
bonds (distance) P-C4' energy: -59.601
flat angles C4'-P-C4' energy: -82.927
flat angles P-C4'-P energy: -56.683
tors. eta vs tors. theta energy: -95.606
Dist. restrs. and SS energy: -205.200 (S_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: 324
Temperature: 1.050000
Total energy: -1332.398425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.398425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.798425 (E_RNA)
where:
Base-Base interactions energy: -785.612
where: short stacking energy: -328.346
Base-Backbone interact. energy: -2.113
local terms energy: -343.072999
where:
bonds (distance) C4'-P energy: -68.521
bonds (distance) P-C4' energy: -66.851
flat angles C4'-P-C4' energy: -79.138
flat angles P-C4'-P energy: -52.226
tors. eta vs tors. theta energy: -76.336
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1310.124922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.124922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.124922 (E_RNA)
where:
Base-Base interactions energy: -783.419
where: short stacking energy: -289.996
Base-Backbone interact. energy: -3.224
local terms energy: -307.481503
where:
bonds (distance) C4'-P energy: -62.371
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -65.299
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -67.709
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1233.668608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.668608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.468608 (E_RNA)
where:
Base-Base interactions energy: -700.291
where: short stacking energy: -278.008
Base-Backbone interact. energy: 4.858
local terms energy: -333.036219
where:
bonds (distance) C4'-P energy: -72.849
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -71.579
flat angles P-C4'-P energy: -46.911
tors. eta vs tors. theta energy: -74.351
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1163.707067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.707067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.307067 (E_RNA)
where:
Base-Base interactions energy: -675.937
where: short stacking energy: -266.030
Base-Backbone interact. energy: -0.605
local terms energy: -292.764981
where:
bonds (distance) C4'-P energy: -57.583
bonds (distance) P-C4' energy: -57.161
flat angles C4'-P-C4' energy: -71.693
flat angles P-C4'-P energy: -42.854
tors. eta vs tors. theta energy: -63.475
Dist. restrs. and SS energy: -194.400 (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: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1139.069352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.069352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.469352 (E_RNA)
where:
Base-Base interactions energy: -632.016
where: short stacking energy: -238.370
Base-Backbone interact. energy: -2.052
local terms energy: -294.401731
where:
bonds (distance) C4'-P energy: -54.788
bonds (distance) P-C4' energy: -74.748
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -60.733
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1132.559293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.559293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.159293 (E_RNA)
where:
Base-Base interactions energy: -652.451
where: short stacking energy: -256.553
Base-Backbone interact. energy: -2.797
local terms energy: -273.910900
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -68.987
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -61.015
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1002.802920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.802920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.802920 (E_RNA)
where:
Base-Base interactions energy: -565.219
where: short stacking energy: -225.810
Base-Backbone interact. energy: 0.051
local terms energy: -257.635098
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -65.514
flat angles C4'-P-C4' energy: -59.244
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: -180.000 (S_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: -1472.905708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.905708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.705708 (E_RNA)
where:
Base-Base interactions energy: -887.568
where: short stacking energy: -354.018
Base-Backbone interact. energy: -5.505
local terms energy: -374.633354
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -81.163
flat angles C4'-P-C4' energy: -78.083
flat angles P-C4'-P energy: -51.310
tors. eta vs tors. theta energy: -97.157
Dist. restrs. and SS energy: -205.200 (S_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: 325
Temperature: 0.950000
Total energy: -1427.351262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.351262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.351262 (E_RNA)
where:
Base-Base interactions energy: -848.373
where: short stacking energy: -340.366
Base-Backbone interact. energy: -1.228
local terms energy: -370.749445
where:
bonds (distance) C4'-P energy: -71.421
bonds (distance) P-C4' energy: -71.695
flat angles C4'-P-C4' energy: -74.804
flat angles P-C4'-P energy: -59.882
tors. eta vs tors. theta energy: -92.948
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1391.269839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.269839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.669839 (E_RNA)
where:
Base-Base interactions energy: -826.936
where: short stacking energy: -336.992
Base-Backbone interact. energy: -3.343
local terms energy: -359.390092
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -76.865
flat angles C4'-P-C4' energy: -79.559
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -99.604
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1307.692388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.692388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.292388 (E_RNA)
where:
Base-Base interactions energy: -764.705
where: short stacking energy: -289.034
Base-Backbone interact. energy: -2.495
local terms energy: -328.091897
where:
bonds (distance) C4'-P energy: -68.772
bonds (distance) P-C4' energy: -69.498
flat angles C4'-P-C4' energy: -73.337
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -74.886
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1316.596335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.596335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.396335 (E_RNA)
where:
Base-Base interactions energy: -768.482
where: short stacking energy: -324.808
Base-Backbone interact. energy: 3.196
local terms energy: -346.110407
where:
bonds (distance) C4'-P energy: -67.767
bonds (distance) P-C4' energy: -71.035
flat angles C4'-P-C4' energy: -66.134
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: -90.839
Dist. restrs. and SS energy: -205.200 (S_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: 325
Temperature: 1.150000
Total energy: -1205.587647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.587647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.387647 (E_RNA)
where:
Base-Base interactions energy: -680.017
where: short stacking energy: -262.398
Base-Backbone interact. energy: -0.644
local terms energy: -319.726792
where:
bonds (distance) C4'-P energy: -63.329
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -72.935
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -71.281
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1166.279223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.279223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.679223 (E_RNA)
where:
Base-Base interactions energy: -667.220
where: short stacking energy: -268.316
Base-Backbone interact. energy: -0.394
local terms energy: -306.065278
where:
bonds (distance) C4'-P energy: -70.276
bonds (distance) P-C4' energy: -50.262
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -68.649
Dist. restrs. and SS energy: -192.600 (S_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: 325
Temperature: 1.250000
Total energy: -1145.915392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.915392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.315392 (E_RNA)
where:
Base-Base interactions energy: -673.288
where: short stacking energy: -249.043
Base-Backbone interact. energy: 1.310
local terms energy: -272.337938
where:
bonds (distance) C4'-P energy: -60.321
bonds (distance) P-C4' energy: -58.005
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -68.151
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1123.065322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.065322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.465322 (E_RNA)
where:
Base-Base interactions energy: -633.093
where: short stacking energy: -262.207
Base-Backbone interact. energy: -1.594
local terms energy: -286.777903
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -54.239
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -48.633
tors. eta vs tors. theta energy: -55.818
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1051.074422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.074422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.274422 (E_RNA)
where:
Base-Base interactions energy: -587.251
where: short stacking energy: -228.289
Base-Backbone interact. energy: 0.606
local terms energy: -273.629078
where:
bonds (distance) C4'-P energy: -43.984
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: -190.800 (S_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: 326
Temperature: 0.900000
Total energy: -1497.271129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.271129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.271129 (E_RNA)
where:
Base-Base interactions energy: -916.930
where: short stacking energy: -355.071
Base-Backbone interact. energy: -2.874
local terms energy: -370.467669
where:
bonds (distance) C4'-P energy: -74.818
bonds (distance) P-C4' energy: -79.185
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -44.846
tors. eta vs tors. theta energy: -92.679
Dist. restrs. and SS energy: -207.000 (S_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: 326
Temperature: 0.950000
Total energy: -1427.508111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.508111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.508111 (E_RNA)
where:
Base-Base interactions energy: -852.367
where: short stacking energy: -355.682
Base-Backbone interact. energy: -1.328
local terms energy: -366.812798
where:
bonds (distance) C4'-P energy: -65.899
bonds (distance) P-C4' energy: -68.140
flat angles C4'-P-C4' energy: -76.583
flat angles P-C4'-P energy: -60.720
tors. eta vs tors. theta energy: -95.471
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1378.196058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.196058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.596058 (E_RNA)
where:
Base-Base interactions energy: -819.950
where: short stacking energy: -328.328
Base-Backbone interact. energy: -3.114
local terms energy: -362.531996
where:
bonds (distance) C4'-P energy: -75.862
bonds (distance) P-C4' energy: -66.581
flat angles C4'-P-C4' energy: -72.037
flat angles P-C4'-P energy: -55.959
tors. eta vs tors. theta energy: -92.093
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1339.030462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.030462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.830462 (E_RNA)
where:
Base-Base interactions energy: -783.293
where: short stacking energy: -311.876
Base-Backbone interact. energy: 4.156
local terms energy: -345.693758
where:
bonds (distance) C4'-P energy: -73.149
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -81.305
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -86.158
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1308.552297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.552297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.352297 (E_RNA)
where:
Base-Base interactions energy: -768.527
where: short stacking energy: -295.020
Base-Backbone interact. energy: -2.149
local terms energy: -332.676588
where:
bonds (distance) C4'-P energy: -50.760
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -71.089
flat angles P-C4'-P energy: -62.246
tors. eta vs tors. theta energy: -74.042
Dist. restrs. and SS energy: -205.200 (S_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: 326
Temperature: 1.150000
Total energy: -1233.934847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.934847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.734847 (E_RNA)
where:
Base-Base interactions energy: -708.829
where: short stacking energy: -299.547
Base-Backbone interact. energy: 0.173
local terms energy: -320.078875
where:
bonds (distance) C4'-P energy: -57.768
bonds (distance) P-C4' energy: -59.568
flat angles C4'-P-C4' energy: -71.668
flat angles P-C4'-P energy: -51.174
tors. eta vs tors. theta energy: -79.900
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1196.606910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.606910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.606910 (E_RNA)
where:
Base-Base interactions energy: -676.272
where: short stacking energy: -265.112
Base-Backbone interact. energy: -1.698
local terms energy: -320.637274
where:
bonds (distance) C4'-P energy: -67.184
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -67.111
flat angles P-C4'-P energy: -52.187
tors. eta vs tors. theta energy: -70.930
Dist. restrs. and SS energy: -198.000 (S_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: 326
Temperature: 1.250000
Total energy: -1127.026214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.026214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.826214 (E_RNA)
where:
Base-Base interactions energy: -635.878
where: short stacking energy: -251.154
Base-Backbone interact. energy: -0.108
local terms energy: -285.839479
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -67.370
flat angles C4'-P-C4' energy: -66.799
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: -50.835
Dist. restrs. and SS energy: -205.200 (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: 326
Temperature: 1.300000
Total energy: -1143.865970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.865970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.065970 (E_RNA)
where:
Base-Base interactions energy: -641.709
where: short stacking energy: -247.621
Base-Backbone interact. energy: -2.031
local terms energy: -300.326175
where:
bonds (distance) C4'-P energy: -64.759
bonds (distance) P-C4' energy: -61.073
flat angles C4'-P-C4' energy: -75.745
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -63.466
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1026.964891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.964891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.164891 (E_RNA)
where:
Base-Base interactions energy: -599.935
where: short stacking energy: -236.412
Base-Backbone interact. energy: 1.325
local terms energy: -237.555288
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -53.121
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -47.982
Dist. restrs. and SS energy: -190.800 (S_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: 327
Temperature: 0.900000
Total energy: -1495.140271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.140271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.140271 (E_RNA)
where:
Base-Base interactions energy: -914.280
where: short stacking energy: -359.776
Base-Backbone interact. energy: -1.728
local terms energy: -372.132000
where:
bonds (distance) C4'-P energy: -66.482
bonds (distance) P-C4' energy: -75.105
flat angles C4'-P-C4' energy: -80.892
flat angles P-C4'-P energy: -61.505
tors. eta vs tors. theta energy: -88.148
Dist. restrs. and SS energy: -207.000 (S_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: 327
Temperature: 0.950000
Total energy: -1437.856103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.856103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.856103 (E_RNA)
where:
Base-Base interactions energy: -859.890
where: short stacking energy: -353.782
Base-Backbone interact. energy: -1.243
local terms energy: -369.723158
where:
bonds (distance) C4'-P energy: -60.695
bonds (distance) P-C4' energy: -69.707
flat angles C4'-P-C4' energy: -81.782
flat angles P-C4'-P energy: -57.953
tors. eta vs tors. theta energy: -99.586
Dist. restrs. and SS energy: -207.000 (S_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: 327
Temperature: 1.000000
Total energy: -1366.136821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.136821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.536821 (E_RNA)
where:
Base-Base interactions energy: -804.041
where: short stacking energy: -320.410
Base-Backbone interact. energy: -3.585
local terms energy: -356.911219
where:
bonds (distance) C4'-P energy: -62.610
bonds (distance) P-C4' energy: -70.288
flat angles C4'-P-C4' energy: -75.868
flat angles P-C4'-P energy: -51.693
tors. eta vs tors. theta energy: -96.452
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1339.863908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.863908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.863908 (E_RNA)
where:
Base-Base interactions energy: -777.358
where: short stacking energy: -302.394
Base-Backbone interact. energy: -1.824
local terms energy: -353.681320
where:
bonds (distance) C4'-P energy: -66.228
bonds (distance) P-C4' energy: -78.373
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -79.239
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1323.936897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.936897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.936897 (E_RNA)
where:
Base-Base interactions energy: -794.751
where: short stacking energy: -316.892
Base-Backbone interact. energy: -1.188
local terms energy: -320.998229
where:
bonds (distance) C4'-P energy: -55.653
bonds (distance) P-C4' energy: -67.560
flat angles C4'-P-C4' energy: -69.319
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -79.007
Dist. restrs. and SS energy: -207.000 (S_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: 327
Temperature: 1.150000
Total energy: -1201.513390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.513390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.513390 (E_RNA)
where:
Base-Base interactions energy: -692.819
where: short stacking energy: -290.429
Base-Backbone interact. energy: -0.502
local terms energy: -301.192182
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -60.835
flat angles C4'-P-C4' energy: -72.654
flat angles P-C4'-P energy: -32.707
tors. eta vs tors. theta energy: -74.405
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1166.566698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.566698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.766698 (E_RNA)
where:
Base-Base interactions energy: -652.230
where: short stacking energy: -249.161
Base-Backbone interact. energy: -1.829
local terms energy: -312.707151
where:
bonds (distance) C4'-P energy: -57.903
bonds (distance) P-C4' energy: -67.960
flat angles C4'-P-C4' energy: -70.624
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -67.873
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1180.819245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.819245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.819245 (E_RNA)
where:
Base-Base interactions energy: -662.685
where: short stacking energy: -276.316
Base-Backbone interact. energy: -2.625
local terms energy: -308.509491
where:
bonds (distance) C4'-P energy: -68.113
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -63.641
flat angles P-C4'-P energy: -50.694
tors. eta vs tors. theta energy: -74.267
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1098.806214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.806214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.606214 (E_RNA)
where:
Base-Base interactions energy: -632.733
where: short stacking energy: -258.251
Base-Backbone interact. energy: -3.171
local terms energy: -257.701866
where:
bonds (distance) C4'-P energy: -65.001
bonds (distance) P-C4' energy: -56.996
flat angles C4'-P-C4' energy: -50.072
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -48.471
Dist. restrs. and SS energy: -205.200 (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: 327
Temperature: 1.350000
Total energy: -1028.958227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.958227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.758227 (E_RNA)
where:
Base-Base interactions energy: -589.147
where: short stacking energy: -226.926
Base-Backbone interact. energy: 1.728
local terms energy: -245.339033
where:
bonds (distance) C4'-P energy: -57.123
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -66.311
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -43.430
Dist. restrs. and SS energy: -196.200 (S_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: -1490.989317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.989317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.189317 (E_RNA)
where:
Base-Base interactions energy: -902.069
where: short stacking energy: -362.891
Base-Backbone interact. energy: -3.223
local terms energy: -376.896780
where:
bonds (distance) C4'-P energy: -74.220
bonds (distance) P-C4' energy: -67.663
flat angles C4'-P-C4' energy: -79.933
flat angles P-C4'-P energy: -55.399
tors. eta vs tors. theta energy: -99.681
Dist. restrs. and SS energy: -208.800 (S_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: 328
Temperature: 0.950000
Total energy: -1414.172803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.172803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.172803 (E_RNA)
where:
Base-Base interactions energy: -846.702
where: short stacking energy: -340.418
Base-Backbone interact. energy: 1.576
local terms energy: -362.047162
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -63.801
flat angles C4'-P-C4' energy: -79.366
flat angles P-C4'-P energy: -56.552
tors. eta vs tors. theta energy: -92.851
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1393.389591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.389591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.789591 (E_RNA)
where:
Base-Base interactions energy: -819.911
where: short stacking energy: -331.773
Base-Backbone interact. energy: 0.787
local terms energy: -372.665177
where:
bonds (distance) C4'-P energy: -69.259
bonds (distance) P-C4' energy: -73.773
flat angles C4'-P-C4' energy: -73.121
flat angles P-C4'-P energy: -56.279
tors. eta vs tors. theta energy: -100.233
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1340.105141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.105141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.905141 (E_RNA)
where:
Base-Base interactions energy: -778.529
where: short stacking energy: -307.318
Base-Backbone interact. energy: -1.925
local terms energy: -345.451613
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -79.877
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -82.481
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1350.160837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.160837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.760837 (E_RNA)
where:
Base-Base interactions energy: -806.712
where: short stacking energy: -335.836
Base-Backbone interact. energy: 2.844
local terms energy: -342.893083
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -70.837
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -91.252
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1217.951660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.951660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.751660 (E_RNA)
where:
Base-Base interactions energy: -694.472
where: short stacking energy: -271.106
Base-Backbone interact. energy: -2.569
local terms energy: -315.710752
where:
bonds (distance) C4'-P energy: -63.290
bonds (distance) P-C4' energy: -58.927
flat angles C4'-P-C4' energy: -78.689
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -76.136
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1203.489797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.489797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.489797 (E_RNA)
where:
Base-Base interactions energy: -685.507
where: short stacking energy: -290.555
Base-Backbone interact. energy: 3.387
local terms energy: -305.370099
where:
bonds (distance) C4'-P energy: -49.990
bonds (distance) P-C4' energy: -73.110
flat angles C4'-P-C4' energy: -62.647
flat angles P-C4'-P energy: -49.786
tors. eta vs tors. theta energy: -69.837
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1165.002296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.002296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.202296 (E_RNA)
where:
Base-Base interactions energy: -674.505
where: short stacking energy: -274.249
Base-Backbone interact. energy: 1.667
local terms energy: -292.364203
where:
bonds (distance) C4'-P energy: -63.020
bonds (distance) P-C4' energy: -60.072
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -61.781
Dist. restrs. and SS energy: -199.800 (S_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: 328
Temperature: 1.300000
Total energy: -1105.471195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.471195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.671195 (E_RNA)
where:
Base-Base interactions energy: -647.314
where: short stacking energy: -251.817
Base-Backbone interact. energy: -2.228
local terms energy: -256.129687
where:
bonds (distance) C4'-P energy: -43.515
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -59.887
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -58.294
Dist. restrs. and SS energy: -199.800 (S_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: 328
Temperature: 1.350000
Total energy: -1082.203997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.203997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.403997 (E_RNA)
where:
Base-Base interactions energy: -615.470
where: short stacking energy: -228.598
Base-Backbone interact. energy: 0.962
local terms energy: -267.895600
where:
bonds (distance) C4'-P energy: -57.566
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -62.491
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: -43.895
Dist. restrs. and SS energy: -199.800 (S_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: -1480.248925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.248925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.648925 (E_RNA)
where:
Base-Base interactions energy: -893.847
where: short stacking energy: -350.837
Base-Backbone interact. energy: -3.048
local terms energy: -372.753963
where:
bonds (distance) C4'-P energy: -82.393
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -74.716
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -92.363
Dist. restrs. and SS energy: -210.600 (S_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: 329
Temperature: 0.950000
Total energy: -1430.038748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.038748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.238748 (E_RNA)
where:
Base-Base interactions energy: -849.541
where: short stacking energy: -347.371
Base-Backbone interact. energy: -1.847
local terms energy: -369.850591
where:
bonds (distance) C4'-P energy: -72.704
bonds (distance) P-C4' energy: -67.602
flat angles C4'-P-C4' energy: -81.112
flat angles P-C4'-P energy: -50.263
tors. eta vs tors. theta energy: -98.170
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1373.148461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.148461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.948461 (E_RNA)
where:
Base-Base interactions energy: -824.421
where: short stacking energy: -326.597
Base-Backbone interact. energy: -1.147
local terms energy: -351.381269
where:
bonds (distance) C4'-P energy: -64.157
bonds (distance) P-C4' energy: -68.611
flat angles C4'-P-C4' energy: -74.311
flat angles P-C4'-P energy: -52.871
tors. eta vs tors. theta energy: -91.431
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1333.695682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.695682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.895682 (E_RNA)
where:
Base-Base interactions energy: -783.922
where: short stacking energy: -319.952
Base-Backbone interact. energy: 9.056
local terms energy: -341.029634
where:
bonds (distance) C4'-P energy: -53.213
bonds (distance) P-C4' energy: -75.983
flat angles C4'-P-C4' energy: -74.108
flat angles P-C4'-P energy: -53.033
tors. eta vs tors. theta energy: -84.692
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1334.164305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.164305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.964305 (E_RNA)
where:
Base-Base interactions energy: -802.196
where: short stacking energy: -326.695
Base-Backbone interact. energy: 0.641
local terms energy: -327.409688
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -73.855
flat angles C4'-P-C4' energy: -77.369
flat angles P-C4'-P energy: -43.715
tors. eta vs tors. theta energy: -87.736
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1217.939886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.939886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.939886 (E_RNA)
where:
Base-Base interactions energy: -710.765
where: short stacking energy: -290.266
Base-Backbone interact. energy: -1.195
local terms energy: -307.979720
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -47.263
flat angles C4'-P-C4' energy: -69.111
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -81.151
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1202.413665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.413665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.413665 (E_RNA)
where:
Base-Base interactions energy: -667.224
where: short stacking energy: -272.808
Base-Backbone interact. energy: 1.212
local terms energy: -329.401500
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -71.576
flat angles P-C4'-P energy: -52.780
tors. eta vs tors. theta energy: -72.743
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1141.295937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.295937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.095937 (E_RNA)
where:
Base-Base interactions energy: -657.511
where: short stacking energy: -262.566
Base-Backbone interact. energy: -1.218
local terms energy: -286.366549
where:
bonds (distance) C4'-P energy: -56.546
bonds (distance) P-C4' energy: -57.909
flat angles C4'-P-C4' energy: -68.634
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -65.944
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1106.050776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.050776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.650776 (E_RNA)
where:
Base-Base interactions energy: -635.836
where: short stacking energy: -250.295
Base-Backbone interact. energy: -0.870
local terms energy: -265.944831
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -59.634
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -55.623
Dist. restrs. and SS energy: -203.400 (S_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: 329
Temperature: 1.350000
Total energy: -1037.300504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.300504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.300504 (E_RNA)
where:
Base-Base interactions energy: -583.963
where: short stacking energy: -217.449
Base-Backbone interact. energy: -1.851
local terms energy: -244.486826
where:
bonds (distance) C4'-P energy: -52.601
bonds (distance) P-C4' energy: -55.825
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -49.504
Dist. restrs. and SS energy: -207.000 (S_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: 330
Temperature: 0.900000
Total energy: -1479.799638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.799638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.999638 (E_RNA)
where:
Base-Base interactions energy: -892.150
where: short stacking energy: -349.795
Base-Backbone interact. energy: -1.976
local terms energy: -376.873768
where:
bonds (distance) C4'-P energy: -81.057
bonds (distance) P-C4' energy: -69.061
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -93.081
Dist. restrs. and SS energy: -208.800 (S_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: 330
Temperature: 0.950000
Total energy: -1449.687352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.687352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.487352 (E_RNA)
where:
Base-Base interactions energy: -866.408
where: short stacking energy: -349.857
Base-Backbone interact. energy: -2.088
local terms energy: -375.990833
where:
bonds (distance) C4'-P energy: -63.428
bonds (distance) P-C4' energy: -74.101
flat angles C4'-P-C4' energy: -83.664
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -95.686
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1407.018916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.018916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.018916 (E_RNA)
where:
Base-Base interactions energy: -869.042
where: short stacking energy: -343.657
Base-Backbone interact. energy: -3.088
local terms energy: -336.888736
where:
bonds (distance) C4'-P energy: -65.322
bonds (distance) P-C4' energy: -63.590
flat angles C4'-P-C4' energy: -62.849
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -94.974
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1313.934759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.934759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.734759 (E_RNA)
where:
Base-Base interactions energy: -747.397
where: short stacking energy: -291.298
Base-Backbone interact. energy: -3.543
local terms energy: -348.795115
where:
bonds (distance) C4'-P energy: -64.596
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -72.873
flat angles P-C4'-P energy: -56.510
tors. eta vs tors. theta energy: -81.674
Dist. restrs. and SS energy: -214.200 (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: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1320.045152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.045152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.645152 (E_RNA)
where:
Base-Base interactions energy: -770.947
where: short stacking energy: -321.465
Base-Backbone interact. energy: -3.007
local terms energy: -342.691518
where:
bonds (distance) C4'-P energy: -60.369
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -75.877
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -95.177
Dist. restrs. and SS energy: -203.400 (S_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: 330
Temperature: 1.150000
Total energy: -1206.484082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.484082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.084082 (E_RNA)
where:
Base-Base interactions energy: -695.228
where: short stacking energy: -289.807
Base-Backbone interact. energy: 0.610
local terms energy: -308.466130
where:
bonds (distance) C4'-P energy: -53.549
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -76.010
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -79.615
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1205.367742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.367742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.367742 (E_RNA)
where:
Base-Base interactions energy: -688.389
where: short stacking energy: -270.032
Base-Backbone interact. energy: -5.369
local terms energy: -295.609581
where:
bonds (distance) C4'-P energy: -48.671
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -75.408
flat angles P-C4'-P energy: -56.037
tors. eta vs tors. theta energy: -59.976
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1133.857782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.857782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.857782 (E_RNA)
where:
Base-Base interactions energy: -648.332
where: short stacking energy: -264.078
Base-Backbone interact. energy: -0.073
local terms energy: -287.452747
where:
bonds (distance) C4'-P energy: -67.381
bonds (distance) P-C4' energy: -68.097
flat angles C4'-P-C4' energy: -67.055
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -68.154
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1076.830435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.830435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.430435 (E_RNA)
where:
Base-Base interactions energy: -628.121
where: short stacking energy: -245.021
Base-Backbone interact. energy: 3.243
local terms energy: -248.552907
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -61.372
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -54.368
Dist. restrs. and SS energy: -203.400 (S_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: 330
Temperature: 1.350000
Total energy: -1020.626147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.626147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.626147 (E_RNA)
where:
Base-Base interactions energy: -593.155
where: short stacking energy: -238.222
Base-Backbone interact. energy: -1.347
local terms energy: -246.124040
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -48.122
Dist. restrs. and SS energy: -180.000 (S_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: 331
Temperature: 0.900000
Total energy: -1491.931309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.931309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.331309 (E_RNA)
where:
Base-Base interactions energy: -906.869
where: short stacking energy: -363.118
Base-Backbone interact. energy: -4.089
local terms energy: -370.372947
where:
bonds (distance) C4'-P energy: -65.983
bonds (distance) P-C4' energy: -68.760
flat angles C4'-P-C4' energy: -85.997
flat angles P-C4'-P energy: -53.299
tors. eta vs tors. theta energy: -96.334
Dist. restrs. and SS energy: -210.600 (S_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: 331
Temperature: 0.950000
Total energy: -1436.696354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.696354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.896354 (E_RNA)
where:
Base-Base interactions energy: -857.153
where: short stacking energy: -356.996
Base-Backbone interact. energy: 4.556
local terms energy: -375.299068
where:
bonds (distance) C4'-P energy: -76.409
bonds (distance) P-C4' energy: -76.403
flat angles C4'-P-C4' energy: -78.830
flat angles P-C4'-P energy: -48.028
tors. eta vs tors. theta energy: -95.630
Dist. restrs. and SS energy: -208.800 (S_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: 331
Temperature: 1.000000
Total energy: -1386.124693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.124693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.324693 (E_RNA)
where:
Base-Base interactions energy: -838.221
where: short stacking energy: -326.608
Base-Backbone interact. energy: -0.041
local terms energy: -348.063177
where:
bonds (distance) C4'-P energy: -62.712
bonds (distance) P-C4' energy: -62.028
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -55.936
tors. eta vs tors. theta energy: -91.752
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1341.887364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.887364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.087364 (E_RNA)
where:
Base-Base interactions energy: -809.062
where: short stacking energy: -317.464
Base-Backbone interact. energy: 2.301
local terms energy: -326.326315
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -71.505
flat angles C4'-P-C4' energy: -75.357
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -79.787
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1298.853280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.853280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.453280 (E_RNA)
where:
Base-Base interactions energy: -756.718
where: short stacking energy: -314.650
Base-Backbone interact. energy: -2.079
local terms energy: -336.656142
where:
bonds (distance) C4'-P energy: -72.834
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -81.218
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -82.499
Dist. restrs. and SS energy: -203.400 (S_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: 331
Temperature: 1.150000
Total energy: -1209.698945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.698945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.898945 (E_RNA)
where:
Base-Base interactions energy: -700.252
where: short stacking energy: -287.668
Base-Backbone interact. energy: -0.193
local terms energy: -300.454163
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -71.722
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -72.956
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1191.630023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.630023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.630023 (E_RNA)
where:
Base-Base interactions energy: -685.674
where: short stacking energy: -264.698
Base-Backbone interact. energy: 3.850
local terms energy: -293.806239
where:
bonds (distance) C4'-P energy: -59.592
bonds (distance) P-C4' energy: -66.215
flat angles C4'-P-C4' energy: -67.541
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -62.607
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1127.581413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.581413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.981413 (E_RNA)
where:
Base-Base interactions energy: -633.981
where: short stacking energy: -244.212
Base-Backbone interact. energy: -1.783
local terms energy: -290.217318
where:
bonds (distance) C4'-P energy: -66.791
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -66.556
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -57.838
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1120.102377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.102377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.102377 (E_RNA)
where:
Base-Base interactions energy: -636.214
where: short stacking energy: -268.499
Base-Backbone interact. energy: -1.992
local terms energy: -283.897045
where:
bonds (distance) C4'-P energy: -45.269
bonds (distance) P-C4' energy: -57.883
flat angles C4'-P-C4' energy: -62.695
flat angles P-C4'-P energy: -44.339
tors. eta vs tors. theta energy: -73.711
Dist. restrs. and SS energy: -198.000 (S_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: 331
Temperature: 1.350000
Total energy: -1043.051029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.051029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.651029 (E_RNA)
where:
Base-Base interactions energy: -605.529
where: short stacking energy: -258.144
Base-Backbone interact. energy: 1.457
local terms energy: -262.579455
where:
bonds (distance) C4'-P energy: -61.005
bonds (distance) P-C4' energy: -53.039
flat angles C4'-P-C4' energy: -59.163
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -61.026
Dist. restrs. and SS energy: -176.400 (S_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: -1479.918105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.918105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.118105 (E_RNA)
where:
Base-Base interactions energy: -915.527
where: short stacking energy: -358.639
Base-Backbone interact. energy: -2.776
local terms energy: -352.814912
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -66.197
flat angles C4'-P-C4' energy: -84.140
flat angles P-C4'-P energy: -55.747
tors. eta vs tors. theta energy: -86.928
Dist. restrs. and SS energy: -208.800 (S_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: 332
Temperature: 0.950000
Total energy: -1424.708892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.708892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.708892 (E_RNA)
where:
Base-Base interactions energy: -844.313
where: short stacking energy: -332.311
Base-Backbone interact. energy: -0.685
local terms energy: -372.711318
where:
bonds (distance) C4'-P energy: -73.139
bonds (distance) P-C4' energy: -76.751
flat angles C4'-P-C4' energy: -83.093
flat angles P-C4'-P energy: -50.060
tors. eta vs tors. theta energy: -89.668
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1370.787092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.787092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.387092 (E_RNA)
where:
Base-Base interactions energy: -818.420
where: short stacking energy: -303.945
Base-Backbone interact. energy: -3.605
local terms energy: -336.362445
where:
bonds (distance) C4'-P energy: -63.203
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -71.256
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -77.123
Dist. restrs. and SS energy: -212.400 (S_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: -1357.251895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.251895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.451895 (E_RNA)
where:
Base-Base interactions energy: -820.869
where: short stacking energy: -330.546
Base-Backbone interact. energy: -1.279
local terms energy: -335.304219
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -72.368
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -96.701
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1338.693601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.693601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.693601 (E_RNA)
where:
Base-Base interactions energy: -815.081
where: short stacking energy: -314.976
Base-Backbone interact. energy: 1.644
local terms energy: -318.256436
where:
bonds (distance) C4'-P energy: -62.110
bonds (distance) P-C4' energy: -63.140
flat angles C4'-P-C4' energy: -76.001
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -77.245
Dist. restrs. and SS energy: -207.000 (S_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: -1225.081445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.081445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.681445 (E_RNA)
where:
Base-Base interactions energy: -699.311
where: short stacking energy: -292.774
Base-Backbone interact. energy: -1.229
local terms energy: -321.141753
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -70.586
flat angles P-C4'-P energy: -50.848
tors. eta vs tors. theta energy: -81.536
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1204.018192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.018192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.218192 (E_RNA)
where:
Base-Base interactions energy: -682.856
where: short stacking energy: -271.651
Base-Backbone interact. energy: 0.032
local terms energy: -303.394454
where:
bonds (distance) C4'-P energy: -59.618
bonds (distance) P-C4' energy: -66.536
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -69.404
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1125.002409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.002409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.802409 (E_RNA)
where:
Base-Base interactions energy: -624.463
where: short stacking energy: -264.759
Base-Backbone interact. energy: -1.061
local terms energy: -294.278104
where:
bonds (distance) C4'-P energy: -64.278
bonds (distance) P-C4' energy: -50.193
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: -63.657
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1099.051324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.051324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.651324 (E_RNA)
where:
Base-Base interactions energy: -626.402
where: short stacking energy: -244.496
Base-Backbone interact. energy: -2.428
local terms energy: -275.820532
where:
bonds (distance) C4'-P energy: -58.414
bonds (distance) P-C4' energy: -60.526
flat angles C4'-P-C4' energy: -59.818
flat angles P-C4'-P energy: -40.734
tors. eta vs tors. theta energy: -56.329
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1026.732272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.732272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.932272 (E_RNA)
where:
Base-Base interactions energy: -566.827
where: short stacking energy: -213.961
Base-Backbone interact. energy: 1.830
local terms energy: -279.935493
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -56.898
flat angles C4'-P-C4' energy: -63.307
flat angles P-C4'-P energy: -55.006
tors. eta vs tors. theta energy: -60.492
Dist. restrs. and SS energy: -181.800 (S_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: -1482.451267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.451267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.451267 (E_RNA)
where:
Base-Base interactions energy: -898.993
where: short stacking energy: -359.115
Base-Backbone interact. energy: -6.220
local terms energy: -370.238428
where:
bonds (distance) C4'-P energy: -62.993
bonds (distance) P-C4' energy: -77.564
flat angles C4'-P-C4' energy: -81.440
flat angles P-C4'-P energy: -50.374
tors. eta vs tors. theta energy: -97.868
Dist. restrs. and SS energy: -207.000 (S_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: 333
Temperature: 0.950000
Total energy: -1430.488112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.488112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.088112 (E_RNA)
where:
Base-Base interactions energy: -861.033
where: short stacking energy: -352.222
Base-Backbone interact. energy: -2.514
local terms energy: -363.540976
where:
bonds (distance) C4'-P energy: -59.713
bonds (distance) P-C4' energy: -78.941
flat angles C4'-P-C4' energy: -81.874
flat angles P-C4'-P energy: -52.230
tors. eta vs tors. theta energy: -90.782
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1385.990140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.990140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.790140 (E_RNA)
where:
Base-Base interactions energy: -810.665
where: short stacking energy: -320.599
Base-Backbone interact. energy: -2.258
local terms energy: -358.867272
where:
bonds (distance) C4'-P energy: -84.736
bonds (distance) P-C4' energy: -64.309
flat angles C4'-P-C4' energy: -78.950
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: -79.411
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1339.642128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.642128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.442128 (E_RNA)
where:
Base-Base interactions energy: -788.701
where: short stacking energy: -322.453
Base-Backbone interact. energy: 2.450
local terms energy: -348.190968
where:
bonds (distance) C4'-P energy: -64.146
bonds (distance) P-C4' energy: -73.546
flat angles C4'-P-C4' energy: -72.710
flat angles P-C4'-P energy: -50.072
tors. eta vs tors. theta energy: -87.717
Dist. restrs. and SS energy: -205.200 (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: 333
Temperature: 1.100000
Total energy: -1308.623987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.623987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.623987 (E_RNA)
where:
Base-Base interactions energy: -760.623
where: short stacking energy: -301.544
Base-Backbone interact. energy: -2.804
local terms energy: -347.197275
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -73.591
flat angles P-C4'-P energy: -58.023
tors. eta vs tors. theta energy: -81.792
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1208.374505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.374505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.374505 (E_RNA)
where:
Base-Base interactions energy: -680.903
where: short stacking energy: -288.008
Base-Backbone interact. energy: 1.668
local terms energy: -322.138580
where:
bonds (distance) C4'-P energy: -67.228
bonds (distance) P-C4' energy: -60.763
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -78.577
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1178.194794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.194794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.994794 (E_RNA)
where:
Base-Base interactions energy: -657.441
where: short stacking energy: -244.928
Base-Backbone interact. energy: -1.590
local terms energy: -304.964103
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -77.862
flat angles C4'-P-C4' energy: -67.856
flat angles P-C4'-P energy: -46.653
tors. eta vs tors. theta energy: -60.014
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1164.486464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.486464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.686464 (E_RNA)
where:
Base-Base interactions energy: -646.018
where: short stacking energy: -250.504
Base-Backbone interact. energy: 0.392
local terms energy: -319.060576
where:
bonds (distance) C4'-P energy: -65.157
bonds (distance) P-C4' energy: -64.995
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -45.420
tors. eta vs tors. theta energy: -71.290
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1079.059053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.059053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.859053 (E_RNA)
where:
Base-Base interactions energy: -611.119
where: short stacking energy: -224.910
Base-Backbone interact. energy: -1.340
local terms energy: -270.400112
where:
bonds (distance) C4'-P energy: -55.387
bonds (distance) P-C4' energy: -58.368
flat angles C4'-P-C4' energy: -56.219
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -53.458
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -999.205815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.205815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.205815 (E_RNA)
where:
Base-Base interactions energy: -585.135
where: short stacking energy: -228.918
Base-Backbone interact. energy: 1.604
local terms energy: -226.673896
where:
bonds (distance) C4'-P energy: -54.515
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -51.122
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -38.934
Dist. restrs. and SS energy: -189.000 (S_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: 334
Temperature: 0.900000
Total energy: -1479.294815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.294815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.694815 (E_RNA)
where:
Base-Base interactions energy: -903.189
where: short stacking energy: -355.083
Base-Backbone interact. energy: -1.718
local terms energy: -372.787751
where:
bonds (distance) C4'-P energy: -74.340
bonds (distance) P-C4' energy: -72.531
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -51.454
tors. eta vs tors. theta energy: -94.325
Dist. restrs. and SS energy: -201.600 (S_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: 334
Temperature: 0.950000
Total energy: -1410.481016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.481016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.281016 (E_RNA)
where:
Base-Base interactions energy: -837.228
where: short stacking energy: -328.363
Base-Backbone interact. energy: -1.225
local terms energy: -366.828910
where:
bonds (distance) C4'-P energy: -64.964
bonds (distance) P-C4' energy: -78.548
flat angles C4'-P-C4' energy: -79.596
flat angles P-C4'-P energy: -56.154
tors. eta vs tors. theta energy: -87.567
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1365.315798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.315798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.115798 (E_RNA)
where:
Base-Base interactions energy: -800.892
where: short stacking energy: -315.183
Base-Backbone interact. energy: -0.141
local terms energy: -359.083459
where:
bonds (distance) C4'-P energy: -71.708
bonds (distance) P-C4' energy: -77.365
flat angles C4'-P-C4' energy: -68.282
flat angles P-C4'-P energy: -57.874
tors. eta vs tors. theta energy: -83.854
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1331.032992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.032992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.832992 (E_RNA)
where:
Base-Base interactions energy: -792.515
where: short stacking energy: -296.405
Base-Backbone interact. energy: -2.962
local terms energy: -321.355724
where:
bonds (distance) C4'-P energy: -69.411
bonds (distance) P-C4' energy: -57.590
flat angles C4'-P-C4' energy: -69.790
flat angles P-C4'-P energy: -42.129
tors. eta vs tors. theta energy: -82.435
Dist. restrs. and SS energy: -214.200 (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: 334
Temperature: 1.100000
Total energy: -1296.110849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.110849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.310849 (E_RNA)
where:
Base-Base interactions energy: -765.340
where: short stacking energy: -316.957
Base-Backbone interact. energy: 3.976
local terms energy: -334.946512
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -83.376
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1227.803958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.803958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.403958 (E_RNA)
where:
Base-Base interactions energy: -703.455
where: short stacking energy: -285.026
Base-Backbone interact. energy: 0.121
local terms energy: -321.070703
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -64.105
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -77.031
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1229.167030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.167030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.367030 (E_RNA)
where:
Base-Base interactions energy: -703.267
where: short stacking energy: -274.798
Base-Backbone interact. energy: -3.011
local terms energy: -305.088540
where:
bonds (distance) C4'-P energy: -62.314
bonds (distance) P-C4' energy: -71.889
flat angles C4'-P-C4' energy: -64.416
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -65.876
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1139.465911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.465911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.665911 (E_RNA)
where:
Base-Base interactions energy: -647.887
where: short stacking energy: -263.417
Base-Backbone interact. energy: -1.260
local terms energy: -290.518444
where:
bonds (distance) C4'-P energy: -67.512
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -66.592
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: -65.587
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1086.604454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.604454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.804454 (E_RNA)
where:
Base-Base interactions energy: -606.985
where: short stacking energy: -251.326
Base-Backbone interact. energy: -2.290
local terms energy: -286.530015
where:
bonds (distance) C4'-P energy: -67.243
bonds (distance) P-C4' energy: -66.292
flat angles C4'-P-C4' energy: -55.854
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -62.336
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1022.502373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.502373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.702373 (E_RNA)
where:
Base-Base interactions energy: -559.895
where: short stacking energy: -214.604
Base-Backbone interact. energy: -1.902
local terms energy: -269.905560
where:
bonds (distance) C4'-P energy: -52.500
bonds (distance) P-C4' energy: -62.977
flat angles C4'-P-C4' energy: -68.669
flat angles P-C4'-P energy: -44.141
tors. eta vs tors. theta energy: -41.619
Dist. restrs. and SS energy: -190.800 (S_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: 335
Temperature: 0.900000
Total energy: -1487.777781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.777781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.777781 (E_RNA)
where:
Base-Base interactions energy: -905.057
where: short stacking energy: -355.282
Base-Backbone interact. energy: -1.823
local terms energy: -373.898033
where:
bonds (distance) C4'-P energy: -68.829
bonds (distance) P-C4' energy: -65.284
flat angles C4'-P-C4' energy: -77.086
flat angles P-C4'-P energy: -57.982
tors. eta vs tors. theta energy: -104.718
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1435.737896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.737896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.537896 (E_RNA)
where:
Base-Base interactions energy: -857.946
where: short stacking energy: -340.947
Base-Backbone interact. energy: 5.907
local terms energy: -378.498288
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -76.261
flat angles C4'-P-C4' energy: -84.749
flat angles P-C4'-P energy: -59.215
tors. eta vs tors. theta energy: -95.103
Dist. restrs. and SS energy: -205.200 (S_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: 335
Temperature: 1.000000
Total energy: -1405.551553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.551553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.551553 (E_RNA)
where:
Base-Base interactions energy: -839.846
where: short stacking energy: -345.474
Base-Backbone interact. energy: -2.598
local terms energy: -356.107219
where:
bonds (distance) C4'-P energy: -66.514
bonds (distance) P-C4' energy: -70.205
flat angles C4'-P-C4' energy: -77.152
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -95.491
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1360.452860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.452860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.052860 (E_RNA)
where:
Base-Base interactions energy: -811.548
where: short stacking energy: -307.747
Base-Backbone interact. energy: 0.666
local terms energy: -337.170370
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -72.595
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -58.814
tors. eta vs tors. theta energy: -72.133
Dist. restrs. and SS energy: -212.400 (S_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: 335
Temperature: 1.100000
Total energy: -1295.014138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.014138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.214138 (E_RNA)
where:
Base-Base interactions energy: -767.299
where: short stacking energy: -315.370
Base-Backbone interact. energy: -0.395
local terms energy: -327.519725
where:
bonds (distance) C4'-P energy: -61.810
bonds (distance) P-C4' energy: -60.613
flat angles C4'-P-C4' energy: -71.199
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -84.572
Dist. restrs. and SS energy: -199.800 (S_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: -1207.213784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.213784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.613784 (E_RNA)
where:
Base-Base interactions energy: -691.059
where: short stacking energy: -296.034
Base-Backbone interact. energy: -0.910
local terms energy: -313.644710
where:
bonds (distance) C4'-P energy: -66.655
bonds (distance) P-C4' energy: -65.577
flat angles C4'-P-C4' energy: -65.194
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -72.435
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1173.885987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.885987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.885987 (E_RNA)
where:
Base-Base interactions energy: -676.358
where: short stacking energy: -281.868
Base-Backbone interact. energy: 2.136
local terms energy: -292.664311
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -60.780
flat angles C4'-P-C4' energy: -74.243
flat angles P-C4'-P energy: -44.271
tors. eta vs tors. theta energy: -62.196
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1114.509735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.509735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.109735 (E_RNA)
where:
Base-Base interactions energy: -645.198
where: short stacking energy: -269.174
Base-Backbone interact. energy: 3.277
local terms energy: -278.188216
where:
bonds (distance) C4'-P energy: -50.426
bonds (distance) P-C4' energy: -61.351
flat angles C4'-P-C4' energy: -62.702
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -72.742
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1096.341056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.341056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.141056 (E_RNA)
where:
Base-Base interactions energy: -624.372
where: short stacking energy: -256.889
Base-Backbone interact. energy: -0.438
local terms energy: -275.330343
where:
bonds (distance) C4'-P energy: -56.228
bonds (distance) P-C4' energy: -61.972
flat angles C4'-P-C4' energy: -65.243
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -50.327
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1019.220307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.220307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.620307 (E_RNA)
where:
Base-Base interactions energy: -556.243
where: short stacking energy: -209.899
Base-Backbone interact. energy: -3.433
local terms energy: -275.944612
where:
bonds (distance) C4'-P energy: -58.754
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -64.940
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -55.493
Dist. restrs. and SS energy: -183.600 (S_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: 336
Temperature: 0.900000
Total energy: -1486.613528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.613528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.013528 (E_RNA)
where:
Base-Base interactions energy: -891.574
where: short stacking energy: -364.397
Base-Backbone interact. energy: -1.995
local terms energy: -382.444203
where:
bonds (distance) C4'-P energy: -69.192
bonds (distance) P-C4' energy: -81.667
flat angles C4'-P-C4' energy: -84.192
flat angles P-C4'-P energy: -50.295
tors. eta vs tors. theta energy: -97.097
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1412.988114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.988114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.988114 (E_RNA)
where:
Base-Base interactions energy: -837.631
where: short stacking energy: -343.314
Base-Backbone interact. energy: 0.536
local terms energy: -368.893031
where:
bonds (distance) C4'-P energy: -68.148
bonds (distance) P-C4' energy: -67.226
flat angles C4'-P-C4' energy: -84.769
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: -98.308
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1384.475525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.475525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.275525 (E_RNA)
where:
Base-Base interactions energy: -827.471
where: short stacking energy: -312.717
Base-Backbone interact. energy: 1.231
local terms energy: -344.035335
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -66.563
flat angles C4'-P-C4' energy: -70.469
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -85.804
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1345.804582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.804582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.604582 (E_RNA)
where:
Base-Base interactions energy: -784.795
where: short stacking energy: -320.741
Base-Backbone interact. energy: -0.528
local terms energy: -355.282188
where:
bonds (distance) C4'-P energy: -64.963
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -77.866
flat angles P-C4'-P energy: -57.086
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: -205.200 (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: 336
Temperature: 1.100000
Total energy: -1322.167844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.167844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.167844 (E_RNA)
where:
Base-Base interactions energy: -798.469
where: short stacking energy: -322.593
Base-Backbone interact. energy: -0.655
local terms energy: -325.043674
where:
bonds (distance) C4'-P energy: -58.005
bonds (distance) P-C4' energy: -67.504
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -45.653
tors. eta vs tors. theta energy: -82.485
Dist. restrs. and SS energy: -198.000 (S_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: 336
Temperature: 1.150000
Total energy: -1213.105637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.105637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.505637 (E_RNA)
where:
Base-Base interactions energy: -696.406
where: short stacking energy: -302.692
Base-Backbone interact. energy: -1.336
local terms energy: -313.763574
where:
bonds (distance) C4'-P energy: -59.311
bonds (distance) P-C4' energy: -64.972
flat angles C4'-P-C4' energy: -76.197
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -79.492
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1191.198182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.198182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.998182 (E_RNA)
where:
Base-Base interactions energy: -679.213
where: short stacking energy: -258.005
Base-Backbone interact. energy: -0.821
local terms energy: -305.963722
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -69.832
flat angles C4'-P-C4' energy: -67.478
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -56.997
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1140.909843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.909843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.309843 (E_RNA)
where:
Base-Base interactions energy: -623.449
where: short stacking energy: -253.170
Base-Backbone interact. energy: -3.032
local terms energy: -312.828562
where:
bonds (distance) C4'-P energy: -70.082
bonds (distance) P-C4' energy: -57.363
flat angles C4'-P-C4' energy: -64.953
flat angles P-C4'-P energy: -52.269
tors. eta vs tors. theta energy: -68.162
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1086.464549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.464549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.464549 (E_RNA)
where:
Base-Base interactions energy: -639.961
where: short stacking energy: -241.308
Base-Backbone interact. energy: -0.799
local terms energy: -247.703856
where:
bonds (distance) C4'-P energy: -47.140
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -36.567
tors. eta vs tors. theta energy: -53.006
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1038.389839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.389839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.189839 (E_RNA)
where:
Base-Base interactions energy: -591.137
where: short stacking energy: -222.572
Base-Backbone interact. energy: 1.214
local terms energy: -261.266857
where:
bonds (distance) C4'-P energy: -56.302
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -67.325
flat angles P-C4'-P energy: -35.112
tors. eta vs tors. theta energy: -57.718
Dist. restrs. and SS energy: -187.200 (S_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: 337
Temperature: 0.900000
Total energy: -1477.839702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.839702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.039702 (E_RNA)
where:
Base-Base interactions energy: -880.876
where: short stacking energy: -353.870
Base-Backbone interact. energy: -4.596
local terms energy: -383.567558
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -67.237
flat angles C4'-P-C4' energy: -85.764
flat angles P-C4'-P energy: -61.089
tors. eta vs tors. theta energy: -97.345
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1386.978600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.978600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.578600 (E_RNA)
where:
Base-Base interactions energy: -831.004
where: short stacking energy: -324.546
Base-Backbone interact. energy: 5.328
local terms energy: -348.902582
where:
bonds (distance) C4'-P energy: -75.424
bonds (distance) P-C4' energy: -72.648
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -84.172
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1393.528993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.528993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.328993 (E_RNA)
where:
Base-Base interactions energy: -842.328
where: short stacking energy: -345.436
Base-Backbone interact. energy: -2.679
local terms energy: -343.321219
where:
bonds (distance) C4'-P energy: -58.503
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -80.071
flat angles P-C4'-P energy: -52.023
tors. eta vs tors. theta energy: -88.302
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1370.596612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.596612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.796612 (E_RNA)
where:
Base-Base interactions energy: -835.379
where: short stacking energy: -333.713
Base-Backbone interact. energy: -1.385
local terms energy: -334.032379
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -74.042
flat angles C4'-P-C4' energy: -71.278
flat angles P-C4'-P energy: -49.270
tors. eta vs tors. theta energy: -89.394
Dist. restrs. and SS energy: -199.800 (S_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: 337
Temperature: 1.100000
Total energy: -1324.918109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.918109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.918109 (E_RNA)
where:
Base-Base interactions energy: -782.937
where: short stacking energy: -314.506
Base-Backbone interact. energy: -1.847
local terms energy: -342.134317
where:
bonds (distance) C4'-P energy: -67.560
bonds (distance) P-C4' energy: -70.323
flat angles C4'-P-C4' energy: -77.063
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -86.600
Dist. restrs. and SS energy: -198.000 (S_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: 337
Temperature: 1.150000
Total energy: -1219.165218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.165218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.365218 (E_RNA)
where:
Base-Base interactions energy: -694.250
where: short stacking energy: -277.046
Base-Backbone interact. energy: -1.214
local terms energy: -314.901082
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -70.194
flat angles C4'-P-C4' energy: -66.053
flat angles P-C4'-P energy: -42.210
tors. eta vs tors. theta energy: -74.605
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1166.568842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.568842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.168842 (E_RNA)
where:
Base-Base interactions energy: -673.810
where: short stacking energy: -250.385
Base-Backbone interact. energy: 1.932
local terms energy: -291.291353
where:
bonds (distance) C4'-P energy: -57.823
bonds (distance) P-C4' energy: -54.563
flat angles C4'-P-C4' energy: -66.173
flat angles P-C4'-P energy: -53.521
tors. eta vs tors. theta energy: -59.212
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1135.418567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.418567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.018567 (E_RNA)
where:
Base-Base interactions energy: -641.374
where: short stacking energy: -250.730
Base-Backbone interact. energy: -1.131
local terms energy: -298.512852
where:
bonds (distance) C4'-P energy: -76.084
bonds (distance) P-C4' energy: -66.134
flat angles C4'-P-C4' energy: -70.253
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -58.444
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1116.581743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.581743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.981743 (E_RNA)
where:
Base-Base interactions energy: -654.261
where: short stacking energy: -246.534
Base-Backbone interact. energy: 0.696
local terms energy: -270.416860
where:
bonds (distance) C4'-P energy: -61.294
bonds (distance) P-C4' energy: -59.573
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -54.442
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -981.040756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.040756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.840756 (E_RNA)
where:
Base-Base interactions energy: -548.525
where: short stacking energy: -216.640
Base-Backbone interact. energy: -1.743
local terms energy: -252.573109
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -55.351
flat angles C4'-P-C4' energy: -61.616
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -46.369
Dist. restrs. and SS energy: -178.200 (S_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: 338
Temperature: 0.900000
Total energy: -1502.322216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.322216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.522216 (E_RNA)
where:
Base-Base interactions energy: -897.379
where: short stacking energy: -340.309
Base-Backbone interact. energy: -2.819
local terms energy: -393.323866
where:
bonds (distance) C4'-P energy: -71.746
bonds (distance) P-C4' energy: -67.838
flat angles C4'-P-C4' energy: -87.012
flat angles P-C4'-P energy: -65.941
tors. eta vs tors. theta energy: -100.787
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1386.763772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.763772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.763772 (E_RNA)
where:
Base-Base interactions energy: -817.572
where: short stacking energy: -309.629
Base-Backbone interact. energy: -1.496
local terms energy: -351.695250
where:
bonds (distance) C4'-P energy: -67.425
bonds (distance) P-C4' energy: -76.089
flat angles C4'-P-C4' energy: -82.610
flat angles P-C4'-P energy: -48.828
tors. eta vs tors. theta energy: -76.742
Dist. restrs. and SS energy: -216.000 (S_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: 338
Temperature: 1.000000
Total energy: -1399.626926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.626926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.626926 (E_RNA)
where:
Base-Base interactions energy: -836.516
where: short stacking energy: -366.948
Base-Backbone interact. energy: -2.415
local terms energy: -353.696366
where:
bonds (distance) C4'-P energy: -64.684
bonds (distance) P-C4' energy: -71.928
flat angles C4'-P-C4' energy: -69.649
flat angles P-C4'-P energy: -48.988
tors. eta vs tors. theta energy: -98.448
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1377.276934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.276934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.276934 (E_RNA)
where:
Base-Base interactions energy: -821.380
where: short stacking energy: -333.733
Base-Backbone interact. energy: -3.360
local terms energy: -345.536875
where:
bonds (distance) C4'-P energy: -63.689
bonds (distance) P-C4' energy: -63.881
flat angles C4'-P-C4' energy: -74.224
flat angles P-C4'-P energy: -50.696
tors. eta vs tors. theta energy: -93.047
Dist. restrs. and SS energy: -207.000 (S_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: 338
Temperature: 1.100000
Total energy: -1298.448136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.448136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.648136 (E_RNA)
where:
Base-Base interactions energy: -769.613
where: short stacking energy: -308.065
Base-Backbone interact. energy: 1.008
local terms energy: -330.043450
where:
bonds (distance) C4'-P energy: -62.736
bonds (distance) P-C4' energy: -70.826
flat angles C4'-P-C4' energy: -68.997
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -83.956
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1208.895818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.895818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.095818 (E_RNA)
where:
Base-Base interactions energy: -698.703
where: short stacking energy: -272.973
Base-Backbone interact. energy: 1.293
local terms energy: -302.685469
where:
bonds (distance) C4'-P energy: -70.798
bonds (distance) P-C4' energy: -67.403
flat angles C4'-P-C4' energy: -65.432
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -57.780
Dist. restrs. and SS energy: -208.800 (S_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: 338
Temperature: 1.200000
Total energy: -1147.844832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.844832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.044832 (E_RNA)
where:
Base-Base interactions energy: -647.191
where: short stacking energy: -254.846
Base-Backbone interact. energy: 1.265
local terms energy: -302.119039
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -60.749
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -46.242
tors. eta vs tors. theta energy: -66.155
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1161.161939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.161939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.761939 (E_RNA)
where:
Base-Base interactions energy: -654.015
where: short stacking energy: -252.092
Base-Backbone interact. energy: -1.098
local terms energy: -302.648963
where:
bonds (distance) C4'-P energy: -55.949
bonds (distance) P-C4' energy: -74.910
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -62.174
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1116.968247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.968247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.968247 (E_RNA)
where:
Base-Base interactions energy: -656.915
where: short stacking energy: -263.813
Base-Backbone interact. energy: -1.009
local terms energy: -270.044534
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -50.412
flat angles C4'-P-C4' energy: -68.761
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -58.948
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1023.226256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.226256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.026256 (E_RNA)
where:
Base-Base interactions energy: -585.847
where: short stacking energy: -238.852
Base-Backbone interact. energy: -1.828
local terms energy: -257.350866
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -59.962
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -51.364
Dist. restrs. and SS energy: -178.200 (S_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: 339
Temperature: 0.900000
Total energy: -1485.225726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.225726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.425726 (E_RNA)
where:
Base-Base interactions energy: -909.035
where: short stacking energy: -354.964
Base-Backbone interact. energy: -1.964
local terms energy: -365.427291
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -69.224
flat angles C4'-P-C4' energy: -87.494
flat angles P-C4'-P energy: -51.660
tors. eta vs tors. theta energy: -98.436
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1373.451427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.451427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.851427 (E_RNA)
where:
Base-Base interactions energy: -791.529
where: short stacking energy: -321.316
Base-Backbone interact. energy: -3.278
local terms energy: -368.045036
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -83.632
flat angles C4'-P-C4' energy: -78.061
flat angles P-C4'-P energy: -51.439
tors. eta vs tors. theta energy: -84.256
Dist. restrs. and SS energy: -210.600 (S_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: 339
Temperature: 1.000000
Total energy: -1423.571573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.571573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.771573 (E_RNA)
where:
Base-Base interactions energy: -833.404
where: short stacking energy: -352.541
Base-Backbone interact. energy: -0.971
local terms energy: -380.396951
where:
bonds (distance) C4'-P energy: -66.821
bonds (distance) P-C4' energy: -75.634
flat angles C4'-P-C4' energy: -82.769
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -102.062
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1374.024664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.024664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.224664 (E_RNA)
where:
Base-Base interactions energy: -812.226
where: short stacking energy: -306.916
Base-Backbone interact. energy: -3.003
local terms energy: -349.995727
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -69.496
flat angles C4'-P-C4' energy: -78.579
flat angles P-C4'-P energy: -56.449
tors. eta vs tors. theta energy: -83.383
Dist. restrs. and SS energy: -208.800 (S_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: 339
Temperature: 1.100000
Total energy: -1286.582772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.582772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.782772 (E_RNA)
where:
Base-Base interactions energy: -752.875
where: short stacking energy: -306.607
Base-Backbone interact. energy: -2.900
local terms energy: -331.008285
where:
bonds (distance) C4'-P energy: -59.249
bonds (distance) P-C4' energy: -63.531
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -76.173
Dist. restrs. and SS energy: -199.800 (S_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: 339
Temperature: 1.150000
Total energy: -1180.008705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.008705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.008705 (E_RNA)
where:
Base-Base interactions energy: -661.800
where: short stacking energy: -254.964
Base-Backbone interact. energy: -1.739
local terms energy: -318.469819
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -67.742
flat angles C4'-P-C4' energy: -72.907
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -70.646
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1174.235670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.235670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.835670 (E_RNA)
where:
Base-Base interactions energy: -689.344
where: short stacking energy: -281.760
Base-Backbone interact. energy: -0.889
local terms energy: -280.603264
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -74.247
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: -66.054
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1139.946297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.946297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.146297 (E_RNA)
where:
Base-Base interactions energy: -635.580
where: short stacking energy: -259.670
Base-Backbone interact. energy: -0.551
local terms energy: -313.014855
where:
bonds (distance) C4'-P energy: -68.433
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -75.462
flat angles P-C4'-P energy: -41.432
tors. eta vs tors. theta energy: -63.298
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1092.440867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.440867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.040867 (E_RNA)
where:
Base-Base interactions energy: -605.950
where: short stacking energy: -221.717
Base-Backbone interact. energy: 2.218
local terms energy: -285.309198
where:
bonds (distance) C4'-P energy: -57.713
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -63.513
flat angles P-C4'-P energy: -52.286
tors. eta vs tors. theta energy: -55.882
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1024.282119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.282119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.882119 (E_RNA)
where:
Base-Base interactions energy: -578.725
where: short stacking energy: -239.342
Base-Backbone interact. energy: 4.093
local terms energy: -264.249954
where:
bonds (distance) C4'-P energy: -44.860
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -71.460
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: -185.400 (S_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: 340
Temperature: 0.900000
Total energy: -1497.134481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.134481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.134481 (E_RNA)
where:
Base-Base interactions energy: -909.585
where: short stacking energy: -346.851
Base-Backbone interact. energy: -3.635
local terms energy: -376.914173
where:
bonds (distance) C4'-P energy: -69.349
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -86.197
flat angles P-C4'-P energy: -59.087
tors. eta vs tors. theta energy: -93.620
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1410.167459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.167459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.167459 (E_RNA)
where:
Base-Base interactions energy: -849.709
where: short stacking energy: -325.283
Base-Backbone interact. energy: -3.870
local terms energy: -340.588131
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -74.405
flat angles C4'-P-C4' energy: -72.259
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -92.707
Dist. restrs. and SS energy: -216.000 (S_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: 340
Temperature: 1.000000
Total energy: -1395.141162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.141162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.741162 (E_RNA)
where:
Base-Base interactions energy: -820.826
where: short stacking energy: -350.305
Base-Backbone interact. energy: -3.286
local terms energy: -367.629696
where:
bonds (distance) C4'-P energy: -66.994
bonds (distance) P-C4' energy: -64.602
flat angles C4'-P-C4' energy: -79.839
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -98.153
Dist. restrs. and SS energy: -203.400 (S_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: 340
Temperature: 1.050000
Total energy: -1351.180845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.180845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.780845 (E_RNA)
where:
Base-Base interactions energy: -796.916
where: short stacking energy: -319.377
Base-Backbone interact. energy: -3.212
local terms energy: -347.653187
where:
bonds (distance) C4'-P energy: -71.352
bonds (distance) P-C4' energy: -69.853
flat angles C4'-P-C4' energy: -70.434
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -89.643
Dist. restrs. and SS energy: -203.400 (S_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: 340
Temperature: 1.100000
Total energy: -1287.539605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.539605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.739605 (E_RNA)
where:
Base-Base interactions energy: -756.993
where: short stacking energy: -300.963
Base-Backbone interact. energy: -1.446
local terms energy: -329.300287
where:
bonds (distance) C4'-P energy: -57.908
bonds (distance) P-C4' energy: -64.095
flat angles C4'-P-C4' energy: -81.363
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -73.598
Dist. restrs. and SS energy: -199.800 (S_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: 340
Temperature: 1.150000
Total energy: -1224.255710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.255710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.455710 (E_RNA)
where:
Base-Base interactions energy: -711.312
where: short stacking energy: -305.789
Base-Backbone interact. energy: -1.165
local terms energy: -311.978608
where:
bonds (distance) C4'-P energy: -41.776
bonds (distance) P-C4' energy: -68.473
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -80.035
Dist. restrs. and SS energy: -199.800 (S_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: 340
Temperature: 1.200000
Total energy: -1192.067423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.067423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.467423 (E_RNA)
where:
Base-Base interactions energy: -701.713
where: short stacking energy: -278.923
Base-Backbone interact. energy: -3.557
local terms energy: -285.197433
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -67.377
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: -68.395
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1153.498365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.498365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.498365 (E_RNA)
where:
Base-Base interactions energy: -655.411
where: short stacking energy: -256.159
Base-Backbone interact. energy: -1.874
local terms energy: -289.213377
where:
bonds (distance) C4'-P energy: -59.595
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -74.803
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: -63.777
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1081.745995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.745995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.945995 (E_RNA)
where:
Base-Base interactions energy: -632.553
where: short stacking energy: -266.090
Base-Backbone interact. energy: 2.889
local terms energy: -243.281889
where:
bonds (distance) C4'-P energy: -49.186
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -59.091
Dist. restrs. and SS energy: -208.800 (S_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: -1008.108906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.108906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.308906 (E_RNA)
where:
Base-Base interactions energy: -574.974
where: short stacking energy: -234.622
Base-Backbone interact. energy: -3.410
local terms energy: -247.925557
where:
bonds (distance) C4'-P energy: -50.594
bonds (distance) P-C4' energy: -39.330
flat angles C4'-P-C4' energy: -68.089
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: -52.851
Dist. restrs. and SS energy: -181.800 (S_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: 341
Temperature: 0.900000
Total energy: -1468.018336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.018336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.218336 (E_RNA)
where:
Base-Base interactions energy: -889.472
where: short stacking energy: -356.992
Base-Backbone interact. energy: -3.357
local terms energy: -366.389059
where:
bonds (distance) C4'-P energy: -63.814
bonds (distance) P-C4' energy: -71.013
flat angles C4'-P-C4' energy: -76.234
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -98.524
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1419.333261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.333261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.933261 (E_RNA)
where:
Base-Base interactions energy: -832.472
where: short stacking energy: -341.451
Base-Backbone interact. energy: -1.567
local terms energy: -372.894203
where:
bonds (distance) C4'-P energy: -69.472
bonds (distance) P-C4' energy: -72.077
flat angles C4'-P-C4' energy: -87.661
flat angles P-C4'-P energy: -56.403
tors. eta vs tors. theta energy: -87.282
Dist. restrs. and SS energy: -212.400 (S_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: 341
Temperature: 1.000000
Total energy: -1422.619785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.619785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.819785 (E_RNA)
where:
Base-Base interactions energy: -838.305
where: short stacking energy: -347.342
Base-Backbone interact. energy: -2.595
local terms energy: -372.920295
where:
bonds (distance) C4'-P energy: -70.819
bonds (distance) P-C4' energy: -81.198
flat angles C4'-P-C4' energy: -80.878
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -90.916
Dist. restrs. and SS energy: -208.800 (S_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: 341
Temperature: 1.050000
Total energy: -1390.459744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.459744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.459744 (E_RNA)
where:
Base-Base interactions energy: -837.379
where: short stacking energy: -340.733
Base-Backbone interact. energy: 6.071
local terms energy: -352.151576
where:
bonds (distance) C4'-P energy: -67.688
bonds (distance) P-C4' energy: -60.232
flat angles C4'-P-C4' energy: -82.968
flat angles P-C4'-P energy: -51.308
tors. eta vs tors. theta energy: -89.957
Dist. restrs. and SS energy: -207.000 (S_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: 341
Temperature: 1.100000
Total energy: -1274.906933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.906933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.506933 (E_RNA)
where:
Base-Base interactions energy: -754.209
where: short stacking energy: -300.398
Base-Backbone interact. energy: -0.223
local terms energy: -326.074908
where:
bonds (distance) C4'-P energy: -66.013
bonds (distance) P-C4' energy: -67.653
flat angles C4'-P-C4' energy: -67.989
flat angles P-C4'-P energy: -48.031
tors. eta vs tors. theta energy: -76.390
Dist. restrs. and SS energy: -194.400 (S_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: 341
Temperature: 1.150000
Total energy: -1233.537410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.537410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.337410 (E_RNA)
where:
Base-Base interactions energy: -724.484
where: short stacking energy: -290.090
Base-Backbone interact. energy: 2.229
local terms energy: -315.082599
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -71.052
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: -76.975
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1162.954901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.954901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.554901 (E_RNA)
where:
Base-Base interactions energy: -685.185
where: short stacking energy: -277.168
Base-Backbone interact. energy: 3.953
local terms energy: -278.322863
where:
bonds (distance) C4'-P energy: -53.879
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -58.175
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -69.843
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1163.782714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.782714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.982714 (E_RNA)
where:
Base-Base interactions energy: -666.520
where: short stacking energy: -278.971
Base-Backbone interact. energy: -1.026
local terms energy: -287.437004
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -66.325
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -41.462
tors. eta vs tors. theta energy: -58.216
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1081.125330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.125330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.125330 (E_RNA)
where:
Base-Base interactions energy: -618.571
where: short stacking energy: -245.522
Base-Backbone interact. energy: -0.895
local terms energy: -254.658888
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -53.549
flat angles C4'-P-C4' energy: -63.660
flat angles P-C4'-P energy: -42.013
tors. eta vs tors. theta energy: -42.717
Dist. restrs. and SS energy: -207.000 (S_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: -1007.264172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.264172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.464172 (E_RNA)
where:
Base-Base interactions energy: -556.610
where: short stacking energy: -211.264
Base-Backbone interact. energy: -1.769
local terms energy: -267.085604
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -64.875
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: -181.800 (S_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: 342
Temperature: 0.900000
Total energy: -1467.288193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.288193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.688193 (E_RNA)
where:
Base-Base interactions energy: -881.996
where: short stacking energy: -355.933
Base-Backbone interact. energy: -2.035
local terms energy: -372.657489
where:
bonds (distance) C4'-P energy: -68.909
bonds (distance) P-C4' energy: -74.848
flat angles C4'-P-C4' energy: -79.609
flat angles P-C4'-P energy: -53.248
tors. eta vs tors. theta energy: -96.043
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1360.547896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.547896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.747896 (E_RNA)
where:
Base-Base interactions energy: -784.076
where: short stacking energy: -337.058
Base-Backbone interact. energy: -3.248
local terms energy: -364.423132
where:
bonds (distance) C4'-P energy: -68.248
bonds (distance) P-C4' energy: -70.481
flat angles C4'-P-C4' energy: -78.836
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -93.086
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1376.511109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.511109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.511109 (E_RNA)
where:
Base-Base interactions energy: -838.860
where: short stacking energy: -336.663
Base-Backbone interact. energy: -3.516
local terms energy: -327.135147
where:
bonds (distance) C4'-P energy: -56.376
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -65.549
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: -93.199
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1376.771882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.771882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.771882 (E_RNA)
where:
Base-Base interactions energy: -804.881
where: short stacking energy: -330.772
Base-Backbone interact. energy: -2.215
local terms energy: -362.675915
where:
bonds (distance) C4'-P energy: -61.851
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -72.571
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: -94.764
Dist. restrs. and SS energy: -207.000 (S_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: 342
Temperature: 1.100000
Total energy: -1297.241265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.241265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.241265 (E_RNA)
where:
Base-Base interactions energy: -775.793
where: short stacking energy: -301.597
Base-Backbone interact. energy: 0.873
local terms energy: -324.320849
where:
bonds (distance) C4'-P energy: -65.742
bonds (distance) P-C4' energy: -59.206
flat angles C4'-P-C4' energy: -77.023
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -78.899
Dist. restrs. and SS energy: -198.000 (S_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: 342
Temperature: 1.150000
Total energy: -1254.406730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.406730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.206730 (E_RNA)
where:
Base-Base interactions energy: -721.045
where: short stacking energy: -285.381
Base-Backbone interact. energy: -3.582
local terms energy: -333.579098
where:
bonds (distance) C4'-P energy: -65.687
bonds (distance) P-C4' energy: -65.051
flat angles C4'-P-C4' energy: -71.012
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -78.644
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1195.080987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.080987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.680987 (E_RNA)
where:
Base-Base interactions energy: -718.498
where: short stacking energy: -288.174
Base-Backbone interact. energy: -1.092
local terms energy: -281.090848
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: -69.881
Dist. restrs. and SS energy: -194.400 (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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1164.941977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.941977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.741977 (E_RNA)
where:
Base-Base interactions energy: -683.087
where: short stacking energy: -264.085
Base-Backbone interact. energy: -2.621
local terms energy: -274.034555
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -61.166
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1091.848173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.848173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.448173 (E_RNA)
where:
Base-Base interactions energy: -630.027
where: short stacking energy: -237.863
Base-Backbone interact. energy: 2.548
local terms energy: -260.969464
where:
bonds (distance) C4'-P energy: -56.023
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -60.429
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1015.713170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.713170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.113170 (E_RNA)
where:
Base-Base interactions energy: -564.894
where: short stacking energy: -231.249
Base-Backbone interact. energy: -3.930
local terms energy: -263.288872
where:
bonds (distance) C4'-P energy: -61.165
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -51.830
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -55.721
Dist. restrs. and SS energy: -183.600 (S_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: 343
Temperature: 0.900000
Total energy: -1471.033060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.033060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.433060 (E_RNA)
where:
Base-Base interactions energy: -885.419
where: short stacking energy: -361.548
Base-Backbone interact. energy: -1.994
local terms energy: -373.020231
where:
bonds (distance) C4'-P energy: -65.775
bonds (distance) P-C4' energy: -73.980
flat angles C4'-P-C4' energy: -82.716
flat angles P-C4'-P energy: -55.050
tors. eta vs tors. theta energy: -95.499
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1410.467918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.467918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.267918 (E_RNA)
where:
Base-Base interactions energy: -841.580
where: short stacking energy: -325.100
Base-Backbone interact. energy: -0.261
local terms energy: -363.427264
where:
bonds (distance) C4'-P energy: -69.324
bonds (distance) P-C4' energy: -74.851
flat angles C4'-P-C4' energy: -71.825
flat angles P-C4'-P energy: -55.013
tors. eta vs tors. theta energy: -92.415
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. 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: -1346.159223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.159223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.159223 (E_RNA)
where:
Base-Base interactions energy: -775.611
where: short stacking energy: -299.452
Base-Backbone interact. energy: -0.234
local terms energy: -354.314106
where:
bonds (distance) C4'-P energy: -73.692
bonds (distance) P-C4' energy: -76.345
flat angles C4'-P-C4' energy: -81.915
flat angles P-C4'-P energy: -52.448
tors. eta vs tors. theta energy: -69.915
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1382.468402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.468402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.268402 (E_RNA)
where:
Base-Base interactions energy: -829.455
where: short stacking energy: -349.878
Base-Backbone interact. energy: -2.042
local terms energy: -345.771226
where:
bonds (distance) C4'-P energy: -56.159
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: -103.003
Dist. restrs. and SS energy: -205.200 (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: 343
Temperature: 1.100000
Total energy: -1287.487029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.487029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.487029 (E_RNA)
where:
Base-Base interactions energy: -787.732
where: short stacking energy: -312.800
Base-Backbone interact. energy: -1.666
local terms energy: -300.088475
where:
bonds (distance) C4'-P energy: -45.540
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -66.177
flat angles P-C4'-P energy: -51.850
tors. eta vs tors. theta energy: -72.770
Dist. restrs. and SS energy: -198.000 (S_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: 343
Temperature: 1.150000
Total energy: -1240.448055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.448055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.648055 (E_RNA)
where:
Base-Base interactions energy: -714.938
where: short stacking energy: -295.586
Base-Backbone interact. energy: 0.332
local terms energy: -335.042646
where:
bonds (distance) C4'-P energy: -72.044
bonds (distance) P-C4' energy: -79.796
flat angles C4'-P-C4' energy: -66.546
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -71.142
Dist. restrs. and SS energy: -190.800 (S_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: -1161.586620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.586620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.386620 (E_RNA)
where:
Base-Base interactions energy: -662.950
where: short stacking energy: -274.574
Base-Backbone interact. energy: -2.201
local terms energy: -309.235297
where:
bonds (distance) C4'-P energy: -63.598
bonds (distance) P-C4' energy: -57.390
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -53.232
tors. eta vs tors. theta energy: -68.525
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1154.780912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.780912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.580912 (E_RNA)
where:
Base-Base interactions energy: -661.221
where: short stacking energy: -271.658
Base-Backbone interact. energy: 0.175
local terms energy: -288.534578
where:
bonds (distance) C4'-P energy: -64.063
bonds (distance) P-C4' energy: -62.050
flat angles C4'-P-C4' energy: -60.117
flat angles P-C4'-P energy: -29.889
tors. eta vs tors. theta energy: -72.415
Dist. restrs. and SS energy: -205.200 (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: 343
Temperature: 1.300000
Total energy: -1117.147729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.147729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.147729 (E_RNA)
where:
Base-Base interactions energy: -644.392
where: short stacking energy: -246.853
Base-Backbone interact. energy: 1.893
local terms energy: -267.649674
where:
bonds (distance) C4'-P energy: -45.346
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: -59.720
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1019.288196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.288196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.288196 (E_RNA)
where:
Base-Base interactions energy: -595.773
where: short stacking energy: -251.358
Base-Backbone interact. energy: 0.471
local terms energy: -243.986312
where:
bonds (distance) C4'-P energy: -41.868
bonds (distance) P-C4' energy: -57.382
flat angles C4'-P-C4' energy: -57.916
flat angles P-C4'-P energy: -34.128
tors. eta vs tors. theta energy: -52.694
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1474.793371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.793371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.393371 (E_RNA)
where:
Base-Base interactions energy: -903.259
where: short stacking energy: -362.789
Base-Backbone interact. energy: -1.734
local terms energy: -366.401164
where:
bonds (distance) C4'-P energy: -69.063
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -76.678
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: -97.590
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1440.919943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.919943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.519943 (E_RNA)
where:
Base-Base interactions energy: -863.288
where: short stacking energy: -340.906
Base-Backbone interact. energy: -1.984
local terms energy: -363.248078
where:
bonds (distance) C4'-P energy: -64.587
bonds (distance) P-C4' energy: -68.481
flat angles C4'-P-C4' energy: -78.499
flat angles P-C4'-P energy: -54.071
tors. eta vs tors. theta energy: -97.610
Dist. restrs. and SS energy: -212.400 (S_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: 344
Temperature: 1.000000
Total energy: -1421.742188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.742188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.742188 (E_RNA)
where:
Base-Base interactions energy: -836.049
where: short stacking energy: -353.716
Base-Backbone interact. energy: -3.900
local terms energy: -374.792890
where:
bonds (distance) C4'-P energy: -75.862
bonds (distance) P-C4' energy: -73.216
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -55.284
tors. eta vs tors. theta energy: -95.060
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1300.539210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.539210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.539210 (E_RNA)
where:
Base-Base interactions energy: -766.732
where: short stacking energy: -291.605
Base-Backbone interact. energy: 0.237
local terms energy: -327.044893
where:
bonds (distance) C4'-P energy: -68.377
bonds (distance) P-C4' energy: -63.511
flat angles C4'-P-C4' energy: -71.900
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -76.983
Dist. restrs. and SS energy: -207.000 (S_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: 344
Temperature: 1.100000
Total energy: -1283.964601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.964601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.564601 (E_RNA)
where:
Base-Base interactions energy: -767.887
where: short stacking energy: -298.082
Base-Backbone interact. energy: -1.281
local terms energy: -320.396392
where:
bonds (distance) C4'-P energy: -65.476
bonds (distance) P-C4' energy: -69.907
flat angles C4'-P-C4' energy: -69.317
flat angles P-C4'-P energy: -46.831
tors. eta vs tors. theta energy: -68.866
Dist. restrs. and SS energy: -194.400 (S_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: 344
Temperature: 1.150000
Total energy: -1250.982811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.982811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.782811 (E_RNA)
where:
Base-Base interactions energy: -720.760
where: short stacking energy: -287.692
Base-Backbone interact. energy: -1.641
local terms energy: -332.382030
where:
bonds (distance) C4'-P energy: -72.766
bonds (distance) P-C4' energy: -64.490
flat angles C4'-P-C4' energy: -72.072
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -75.894
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1139.686806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.686806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.686806 (E_RNA)
where:
Base-Base interactions energy: -650.002
where: short stacking energy: -272.543
Base-Backbone interact. energy: -1.452
local terms energy: -290.232533
where:
bonds (distance) C4'-P energy: -54.578
bonds (distance) P-C4' energy: -64.492
flat angles C4'-P-C4' energy: -71.018
flat angles P-C4'-P energy: -27.592
tors. eta vs tors. theta energy: -72.552
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1138.927095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.927095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.727095 (E_RNA)
where:
Base-Base interactions energy: -653.450
where: short stacking energy: -241.813
Base-Backbone interact. energy: -2.688
local terms energy: -277.589222
where:
bonds (distance) C4'-P energy: -60.567
bonds (distance) P-C4' energy: -61.984
flat angles C4'-P-C4' energy: -62.239
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -53.663
Dist. restrs. and SS energy: -205.200 (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: 344
Temperature: 1.300000
Total energy: -1153.489882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.489882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.089882 (E_RNA)
where:
Base-Base interactions energy: -674.502
where: short stacking energy: -264.697
Base-Backbone interact. energy: -0.189
local terms energy: -266.398717
where:
bonds (distance) C4'-P energy: -64.264
bonds (distance) P-C4' energy: -55.155
flat angles C4'-P-C4' energy: -60.214
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -62.273
Dist. restrs. and SS energy: -212.400 (S_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: 344
Temperature: 1.350000
Total energy: -989.252750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.252750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.252750 (E_RNA)
where:
Base-Base interactions energy: -553.008
where: short stacking energy: -217.156
Base-Backbone interact. energy: 4.680
local terms energy: -260.924410
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -64.293
flat angles C4'-P-C4' energy: -53.822
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -48.873
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1455.676114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.676114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.676114 (E_RNA)
where:
Base-Base interactions energy: -871.636
where: short stacking energy: -343.651
Base-Backbone interact. energy: 0.856
local terms energy: -377.896296
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -72.158
flat angles C4'-P-C4' energy: -86.132
flat angles P-C4'-P energy: -52.938
tors. eta vs tors. theta energy: -94.544
Dist. restrs. and SS energy: -207.000 (S_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: 345
Temperature: 0.950000
Total energy: -1444.210686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.210686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.010686 (E_RNA)
where:
Base-Base interactions energy: -857.478
where: short stacking energy: -361.619
Base-Backbone interact. energy: 0.760
local terms energy: -382.292453
where:
bonds (distance) C4'-P energy: -70.937
bonds (distance) P-C4' energy: -68.739
flat angles C4'-P-C4' energy: -89.097
flat angles P-C4'-P energy: -54.262
tors. eta vs tors. theta energy: -99.256
Dist. restrs. and SS energy: -205.200 (S_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: 345
Temperature: 1.000000
Total energy: -1429.116739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.116739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.916739 (E_RNA)
where:
Base-Base interactions energy: -850.902
where: short stacking energy: -344.729
Base-Backbone interact. energy: 1.294
local terms energy: -374.309127
where:
bonds (distance) C4'-P energy: -73.372
bonds (distance) P-C4' energy: -73.477
flat angles C4'-P-C4' energy: -77.805
flat angles P-C4'-P energy: -55.870
tors. eta vs tors. theta energy: -93.786
Dist. restrs. and SS energy: -205.200 (S_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: 345
Temperature: 1.050000
Total energy: -1331.933152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.933152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.733152 (E_RNA)
where:
Base-Base interactions energy: -815.523
where: short stacking energy: -311.362
Base-Backbone interact. energy: -2.952
local terms energy: -317.257690
where:
bonds (distance) C4'-P energy: -48.024
bonds (distance) P-C4' energy: -77.505
flat angles C4'-P-C4' energy: -68.147
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1277.570586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.570586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.170586 (E_RNA)
where:
Base-Base interactions energy: -748.247
where: short stacking energy: -312.794
Base-Backbone interact. energy: 8.627
local terms energy: -325.549806
where:
bonds (distance) C4'-P energy: -54.780
bonds (distance) P-C4' energy: -65.009
flat angles C4'-P-C4' energy: -75.773
flat angles P-C4'-P energy: -51.155
tors. eta vs tors. theta energy: -78.833
Dist. restrs. and SS energy: -212.400 (S_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: 345
Temperature: 1.150000
Total energy: -1188.207567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.207567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.807567 (E_RNA)
where:
Base-Base interactions energy: -696.703
where: short stacking energy: -287.699
Base-Backbone interact. energy: -1.015
local terms energy: -296.089224
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -75.338
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -41.844
tors. eta vs tors. theta energy: -67.821
Dist. restrs. and SS energy: -194.400 (S_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: 345
Temperature: 1.200000
Total energy: -1146.960103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.960103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.760103 (E_RNA)
where:
Base-Base interactions energy: -658.278
where: short stacking energy: -253.420
Base-Backbone interact. energy: 0.420
local terms energy: -292.902211
where:
bonds (distance) C4'-P energy: -62.101
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -59.573
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -66.377
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1181.795416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.795416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.595416 (E_RNA)
where:
Base-Base interactions energy: -698.872
where: short stacking energy: -273.335
Base-Backbone interact. energy: 3.191
local terms energy: -271.914724
where:
bonds (distance) C4'-P energy: -56.355
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -69.713
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -50.998
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1124.058384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.058384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.058384 (E_RNA)
where:
Base-Base interactions energy: -623.514
where: short stacking energy: -249.979
Base-Backbone interact. energy: -2.390
local terms energy: -291.154268
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -67.022
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -67.372
Dist. restrs. and SS energy: -207.000 (S_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: 345
Temperature: 1.350000
Total energy: -1041.141377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.141377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.541377 (E_RNA)
where:
Base-Base interactions energy: -600.794
where: short stacking energy: -224.510
Base-Backbone interact. energy: 1.391
local terms energy: -258.138257
where:
bonds (distance) C4'-P energy: -50.973
bonds (distance) P-C4' energy: -59.915
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1456.787190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.787190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.987190 (E_RNA)
where:
Base-Base interactions energy: -877.237
where: short stacking energy: -355.590
Base-Backbone interact. energy: -1.797
local terms energy: -368.953129
where:
bonds (distance) C4'-P energy: -63.215
bonds (distance) P-C4' energy: -71.762
flat angles C4'-P-C4' energy: -81.284
flat angles P-C4'-P energy: -50.058
tors. eta vs tors. theta energy: -102.634
Dist. restrs. and SS energy: -208.800 (S_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: 346
Temperature: 0.950000
Total energy: -1436.867086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.867086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.667086 (E_RNA)
where:
Base-Base interactions energy: -852.698
where: short stacking energy: -370.645
Base-Backbone interact. energy: -2.229
local terms energy: -376.740681
where:
bonds (distance) C4'-P energy: -65.013
bonds (distance) P-C4' energy: -70.136
flat angles C4'-P-C4' energy: -87.500
flat angles P-C4'-P energy: -54.903
tors. eta vs tors. theta energy: -99.188
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1369.206863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.206863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.406863 (E_RNA)
where:
Base-Base interactions energy: -824.634
where: short stacking energy: -310.421
Base-Backbone interact. energy: -2.709
local terms energy: -342.063902
where:
bonds (distance) C4'-P energy: -65.275
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -88.140
flat angles P-C4'-P energy: -47.172
tors. eta vs tors. theta energy: -71.673
Dist. restrs. and SS energy: -199.800 (S_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: 346
Temperature: 1.050000
Total energy: -1388.743610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.743610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.943610 (E_RNA)
where:
Base-Base interactions energy: -849.611
where: short stacking energy: -328.862
Base-Backbone interact. energy: -0.311
local terms energy: -330.020793
where:
bonds (distance) C4'-P energy: -62.826
bonds (distance) P-C4' energy: -61.877
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -43.996
tors. eta vs tors. theta energy: -89.783
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1260.097169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.097169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.297169 (E_RNA)
where:
Base-Base interactions energy: -727.476
where: short stacking energy: -289.510
Base-Backbone interact. energy: -1.383
local terms energy: -322.439001
where:
bonds (distance) C4'-P energy: -71.586
bonds (distance) P-C4' energy: -71.220
flat angles C4'-P-C4' energy: -70.048
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: -208.800 (S_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: 346
Temperature: 1.150000
Total energy: -1216.967659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.967659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.767659 (E_RNA)
where:
Base-Base interactions energy: -693.498
where: short stacking energy: -291.634
Base-Backbone interact. energy: -1.269
local terms energy: -326.000653
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -72.484
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -76.999
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1233.224256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.224256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.824256 (E_RNA)
where:
Base-Base interactions energy: -729.274
where: short stacking energy: -285.515
Base-Backbone interact. energy: -1.065
local terms energy: -290.485111
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -48.516
flat angles C4'-P-C4' energy: -69.718
flat angles P-C4'-P energy: -44.803
tors. eta vs tors. theta energy: -68.531
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1122.503835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.503835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.703835 (E_RNA)
where:
Base-Base interactions energy: -648.639
where: short stacking energy: -259.376
Base-Backbone interact. energy: 2.936
local terms energy: -277.000181
where:
bonds (distance) C4'-P energy: -65.513
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -57.309
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1096.223351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.223351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.223351 (E_RNA)
where:
Base-Base interactions energy: -618.787
where: short stacking energy: -265.306
Base-Backbone interact. energy: -1.504
local terms energy: -268.932008
where:
bonds (distance) C4'-P energy: -50.617
bonds (distance) P-C4' energy: -58.844
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -37.088
tors. eta vs tors. theta energy: -64.605
Dist. restrs. and SS energy: -207.000 (S_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: 346
Temperature: 1.350000
Total energy: -993.854495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.854495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.854495 (E_RNA)
where:
Base-Base interactions energy: -562.530
where: short stacking energy: -227.888
Base-Backbone interact. energy: -1.559
local terms energy: -240.765109
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -58.912
flat angles C4'-P-C4' energy: -53.716
flat angles P-C4'-P energy: -35.098
tors. eta vs tors. theta energy: -41.180
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1442.219513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.219513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.419513 (E_RNA)
where:
Base-Base interactions energy: -884.754
where: short stacking energy: -359.788
Base-Backbone interact. energy: -3.661
local terms energy: -345.004429
where:
bonds (distance) C4'-P energy: -54.544
bonds (distance) P-C4' energy: -73.201
flat angles C4'-P-C4' energy: -74.351
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -89.584
Dist. restrs. and SS energy: -208.800 (S_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: 347
Temperature: 0.950000
Total energy: -1430.220290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.220290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.220290 (E_RNA)
where:
Base-Base interactions energy: -846.028
where: short stacking energy: -343.347
Base-Backbone interact. energy: 3.963
local terms energy: -381.155281
where:
bonds (distance) C4'-P energy: -77.806
bonds (distance) P-C4' energy: -77.087
flat angles C4'-P-C4' energy: -79.987
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -97.132
Dist. restrs. and SS energy: -207.000 (S_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: 347
Temperature: 1.000000
Total energy: -1388.802428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.802428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.802428 (E_RNA)
where:
Base-Base interactions energy: -846.972
where: short stacking energy: -344.499
Base-Backbone interact. energy: -0.572
local terms energy: -343.257926
where:
bonds (distance) C4'-P energy: -69.366
bonds (distance) P-C4' energy: -64.535
flat angles C4'-P-C4' energy: -71.608
flat angles P-C4'-P energy: -51.554
tors. eta vs tors. theta energy: -86.194
Dist. restrs. and SS energy: -198.000 (S_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: -1395.560900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.560900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.960900 (E_RNA)
where:
Base-Base interactions energy: -838.940
where: short stacking energy: -335.680
Base-Backbone interact. energy: 1.643
local terms energy: -356.664392
where:
bonds (distance) C4'-P energy: -68.276
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -77.609
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -85.795
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1277.010417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.010417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.010417 (E_RNA)
where:
Base-Base interactions energy: -762.684
where: short stacking energy: -297.549
Base-Backbone interact. energy: 4.257
local terms energy: -302.583109
where:
bonds (distance) C4'-P energy: -62.384
bonds (distance) P-C4' energy: -61.831
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -44.059
tors. eta vs tors. theta energy: -72.866
Dist. restrs. and SS energy: -216.000 (S_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: -1241.304448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.304448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.904448 (E_RNA)
where:
Base-Base interactions energy: -722.340
where: short stacking energy: -286.656
Base-Backbone interact. energy: -2.283
local terms energy: -304.282066
where:
bonds (distance) C4'-P energy: -66.683
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -44.519
tors. eta vs tors. theta energy: -69.900
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1166.806505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.806505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.206505 (E_RNA)
where:
Base-Base interactions energy: -663.236
where: short stacking energy: -279.237
Base-Backbone interact. energy: -1.374
local terms energy: -300.596563
where:
bonds (distance) C4'-P energy: -63.464
bonds (distance) P-C4' energy: -57.850
flat angles C4'-P-C4' energy: -61.976
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -68.487
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1097.388619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.388619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.188619 (E_RNA)
where:
Base-Base interactions energy: -617.175
where: short stacking energy: -263.390
Base-Backbone interact. energy: -2.513
local terms energy: -281.500236
where:
bonds (distance) C4'-P energy: -58.701
bonds (distance) P-C4' energy: -66.686
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: -53.689
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1079.090570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.090570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.490570 (E_RNA)
where:
Base-Base interactions energy: -592.734
where: short stacking energy: -242.431
Base-Backbone interact. energy: -0.989
local terms energy: -283.767635
where:
bonds (distance) C4'-P energy: -66.652
bonds (distance) P-C4' energy: -63.468
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -55.911
Dist. restrs. and SS energy: -201.600 (S_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: 347
Temperature: 1.350000
Total energy: -1048.327453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.327453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.127453 (E_RNA)
where:
Base-Base interactions energy: -583.101
where: short stacking energy: -227.271
Base-Backbone interact. energy: -0.208
local terms energy: -268.817850
where:
bonds (distance) C4'-P energy: -56.721
bonds (distance) P-C4' energy: -56.938
flat angles C4'-P-C4' energy: -55.429
flat angles P-C4'-P energy: -50.567
tors. eta vs tors. theta energy: -49.163
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1458.448396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.448396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.248396 (E_RNA)
where:
Base-Base interactions energy: -895.409
where: short stacking energy: -344.807
Base-Backbone interact. energy: -3.674
local terms energy: -354.164900
where:
bonds (distance) C4'-P energy: -65.225
bonds (distance) P-C4' energy: -72.148
flat angles C4'-P-C4' energy: -79.702
flat angles P-C4'-P energy: -49.688
tors. eta vs tors. theta energy: -87.403
Dist. restrs. and SS energy: -205.200 (S_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: 348
Temperature: 0.950000
Total energy: -1438.654211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.654211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.254211 (E_RNA)
where:
Base-Base interactions energy: -842.976
where: short stacking energy: -360.449
Base-Backbone interact. energy: -3.027
local terms energy: -389.252070
where:
bonds (distance) C4'-P energy: -75.335
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -85.084
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -103.778
Dist. restrs. and SS energy: -203.400 (S_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: 348
Temperature: 1.000000
Total energy: -1403.060435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.060435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.260435 (E_RNA)
where:
Base-Base interactions energy: -854.474
where: short stacking energy: -344.759
Base-Backbone interact. energy: -3.549
local terms energy: -336.237687
where:
bonds (distance) C4'-P energy: -47.828
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -82.910
flat angles P-C4'-P energy: -50.441
tors. eta vs tors. theta energy: -92.956
Dist. restrs. and SS energy: -208.800 (S_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: 348
Temperature: 1.050000
Total energy: -1325.697196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.697196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.097196 (E_RNA)
where:
Base-Base interactions energy: -794.857
where: short stacking energy: -321.813
Base-Backbone interact. energy: -1.607
local terms energy: -327.633592
where:
bonds (distance) C4'-P energy: -68.116
bonds (distance) P-C4' energy: -65.745
flat angles C4'-P-C4' energy: -68.018
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -79.370
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1338.617454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.617454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.617454 (E_RNA)
where:
Base-Base interactions energy: -786.646
where: short stacking energy: -319.183
Base-Backbone interact. energy: -3.078
local terms energy: -332.893981
where:
bonds (distance) C4'-P energy: -70.047
bonds (distance) P-C4' energy: -75.944
flat angles C4'-P-C4' energy: -69.820
flat angles P-C4'-P energy: -41.141
tors. eta vs tors. theta energy: -75.943
Dist. restrs. and SS energy: -216.000 (S_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: -1219.561343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.561343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.961343 (E_RNA)
where:
Base-Base interactions energy: -710.615
where: short stacking energy: -274.960
Base-Backbone interact. energy: -2.863
local terms energy: -295.483870
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -62.460
flat angles C4'-P-C4' energy: -73.597
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -58.778
Dist. restrs. and SS energy: -210.600 (S_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: -1149.134102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.134102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.734102 (E_RNA)
where:
Base-Base interactions energy: -657.099
where: short stacking energy: -273.758
Base-Backbone interact. energy: 1.589
local terms energy: -299.224196
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -54.761
flat angles C4'-P-C4' energy: -71.053
flat angles P-C4'-P energy: -48.535
tors. eta vs tors. theta energy: -70.942
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1136.487793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.487793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.487793 (E_RNA)
where:
Base-Base interactions energy: -645.852
where: short stacking energy: -249.426
Base-Backbone interact. energy: 5.855
local terms energy: -298.490811
where:
bonds (distance) C4'-P energy: -66.455
bonds (distance) P-C4' energy: -64.088
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -49.398
tors. eta vs tors. theta energy: -47.857
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1095.536255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.536255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.936255 (E_RNA)
where:
Base-Base interactions energy: -615.384
where: short stacking energy: -248.490
Base-Backbone interact. energy: -2.455
local terms energy: -276.097608
where:
bonds (distance) C4'-P energy: -52.969
bonds (distance) P-C4' energy: -71.542
flat angles C4'-P-C4' energy: -58.710
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -64.405
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1048.774727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.774727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.374727 (E_RNA)
where:
Base-Base interactions energy: -609.682
where: short stacking energy: -233.387
Base-Backbone interact. energy: -1.659
local terms energy: -243.034277
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -42.147
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -46.012
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1464.838905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.838905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.038905 (E_RNA)
where:
Base-Base interactions energy: -881.437
where: short stacking energy: -357.403
Base-Backbone interact. energy: 2.205
local terms energy: -376.807166
where:
bonds (distance) C4'-P energy: -76.221
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -79.944
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -98.861
Dist. restrs. and SS energy: -208.800 (S_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: 349
Temperature: 0.950000
Total energy: -1464.164400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.164400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.164400 (E_RNA)
where:
Base-Base interactions energy: -881.865
where: short stacking energy: -352.361
Base-Backbone interact. energy: -1.765
local terms energy: -373.534785
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -69.278
flat angles C4'-P-C4' energy: -83.980
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -89.522
Dist. restrs. and SS energy: -207.000 (S_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: 349
Temperature: 1.000000
Total energy: -1390.096317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.096317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.096317 (E_RNA)
where:
Base-Base interactions energy: -815.142
where: short stacking energy: -328.496
Base-Backbone interact. energy: -2.457
local terms energy: -365.497477
where:
bonds (distance) C4'-P energy: -69.090
bonds (distance) P-C4' energy: -74.032
flat angles C4'-P-C4' energy: -79.507
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: -93.944
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1382.678192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.678192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.478192 (E_RNA)
where:
Base-Base interactions energy: -817.008
where: short stacking energy: -319.147
Base-Backbone interact. energy: -0.800
local terms energy: -350.669999
where:
bonds (distance) C4'-P energy: -68.690
bonds (distance) P-C4' energy: -68.751
flat angles C4'-P-C4' energy: -72.174
flat angles P-C4'-P energy: -53.870
tors. eta vs tors. theta energy: -87.185
Dist. restrs. and SS energy: -214.200 (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: 349
Temperature: 1.100000
Total energy: -1250.353146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.353146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.353146 (E_RNA)
where:
Base-Base interactions energy: -740.699
where: short stacking energy: -288.276
Base-Backbone interact. energy: 0.526
local terms energy: -312.180439
where:
bonds (distance) C4'-P energy: -66.194
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -61.418
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -70.958
Dist. restrs. and SS energy: -198.000 (S_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: -1208.275707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.275707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.675707 (E_RNA)
where:
Base-Base interactions energy: -715.139
where: short stacking energy: -307.792
Base-Backbone interact. energy: 3.146
local terms energy: -294.682475
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -64.201
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -84.062
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1192.498499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.498499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.498499 (E_RNA)
where:
Base-Base interactions energy: -676.810
where: short stacking energy: -274.040
Base-Backbone interact. energy: -2.314
local terms energy: -306.374426
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -70.212
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -68.647
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1129.887508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.887508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.087508 (E_RNA)
where:
Base-Base interactions energy: -657.036
where: short stacking energy: -266.468
Base-Backbone interact. energy: 4.767
local terms energy: -277.818412
where:
bonds (distance) C4'-P energy: -61.505
bonds (distance) P-C4' energy: -66.177
flat angles C4'-P-C4' energy: -58.175
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -52.646
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1085.174482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.174482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.174482 (E_RNA)
where:
Base-Base interactions energy: -618.901
where: short stacking energy: -247.877
Base-Backbone interact. energy: 3.951
local terms energy: -281.224673
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -61.729
flat angles C4'-P-C4' energy: -66.952
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -48.429
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1051.587456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.587456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.187456 (E_RNA)
where:
Base-Base interactions energy: -587.753
where: short stacking energy: -224.378
Base-Backbone interact. energy: -2.408
local terms energy: -258.026333
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -64.666
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: -203.400 (S_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: 350
Temperature: 0.900000
Total energy: -1478.257159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.257159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.457159 (E_RNA)
where:
Base-Base interactions energy: -889.660
where: short stacking energy: -353.070
Base-Backbone interact. energy: -4.668
local terms energy: -375.128629
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -78.554
flat angles C4'-P-C4' energy: -80.096
flat angles P-C4'-P energy: -50.325
tors. eta vs tors. theta energy: -97.760
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1413.540270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.540270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.340270 (E_RNA)
where:
Base-Base interactions energy: -834.502
where: short stacking energy: -353.261
Base-Backbone interact. energy: 5.304
local terms energy: -379.142151
where:
bonds (distance) C4'-P energy: -76.578
bonds (distance) P-C4' energy: -73.484
flat angles C4'-P-C4' energy: -82.556
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -99.328
Dist. restrs. and SS energy: -205.200 (S_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: 350
Temperature: 1.000000
Total energy: -1379.325002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.325002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.325002 (E_RNA)
where:
Base-Base interactions energy: -809.577
where: short stacking energy: -356.655
Base-Backbone interact. energy: -3.331
local terms energy: -359.416654
where:
bonds (distance) C4'-P energy: -59.368
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -80.888
flat angles P-C4'-P energy: -55.071
tors. eta vs tors. theta energy: -90.331
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1365.254641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.254641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.054641 (E_RNA)
where:
Base-Base interactions energy: -803.648
where: short stacking energy: -316.883
Base-Backbone interact. energy: 0.479
local terms energy: -347.886110
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -72.537
flat angles C4'-P-C4' energy: -81.257
flat angles P-C4'-P energy: -52.095
tors. eta vs tors. theta energy: -85.913
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1213.360546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.360546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.560546 (E_RNA)
where:
Base-Base interactions energy: -698.749
where: short stacking energy: -275.430
Base-Backbone interact. energy: -0.384
local terms energy: -314.427531
where:
bonds (distance) C4'-P energy: -53.308
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -49.823
tors. eta vs tors. theta energy: -71.605
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1257.011226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.011226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.011226 (E_RNA)
where:
Base-Base interactions energy: -736.362
where: short stacking energy: -296.354
Base-Backbone interact. energy: -1.586
local terms energy: -321.062970
where:
bonds (distance) C4'-P energy: -70.404
bonds (distance) P-C4' energy: -66.631
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -70.598
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1229.331380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.331380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.131380 (E_RNA)
where:
Base-Base interactions energy: -707.531
where: short stacking energy: -267.930
Base-Backbone interact. energy: -1.607
local terms energy: -305.993327
where:
bonds (distance) C4'-P energy: -64.162
bonds (distance) P-C4' energy: -70.059
flat angles C4'-P-C4' energy: -68.513
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -61.260
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1135.344931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.344931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.144931 (E_RNA)
where:
Base-Base interactions energy: -658.711
where: short stacking energy: -260.638
Base-Backbone interact. energy: -0.778
local terms energy: -270.655625
where:
bonds (distance) C4'-P energy: -63.197
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -66.092
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -53.949
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1080.815173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.815173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.815173 (E_RNA)
where:
Base-Base interactions energy: -619.744
where: short stacking energy: -253.270
Base-Backbone interact. energy: 0.241
local terms energy: -272.311676
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -60.777
flat angles C4'-P-C4' energy: -53.917
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -63.229
Dist. restrs. and SS energy: -189.000 (S_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: -1021.650420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.650420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.050420 (E_RNA)
where:
Base-Base interactions energy: -569.099
where: short stacking energy: -216.248
Base-Backbone interact. energy: 0.344
local terms energy: -251.294879
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -62.545
flat angles C4'-P-C4' energy: -70.661
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -40.971
Dist. restrs. and SS energy: -201.600 (S_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: 351
Temperature: 0.900000
Total energy: -1470.671834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.671834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.471834 (E_RNA)
where:
Base-Base interactions energy: -891.772
where: short stacking energy: -353.241
Base-Backbone interact. energy: -1.857
local terms energy: -371.843205
where:
bonds (distance) C4'-P energy: -75.406
bonds (distance) P-C4' energy: -67.910
flat angles C4'-P-C4' energy: -82.132
flat angles P-C4'-P energy: -47.823
tors. eta vs tors. theta energy: -98.571
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1415.005426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.005426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.205426 (E_RNA)
where:
Base-Base interactions energy: -837.876
where: short stacking energy: -346.966
Base-Backbone interact. energy: 0.492
local terms energy: -368.821551
where:
bonds (distance) C4'-P energy: -69.193
bonds (distance) P-C4' energy: -74.587
flat angles C4'-P-C4' energy: -85.585
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -89.621
Dist. restrs. and SS energy: -208.800 (S_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: 351
Temperature: 1.000000
Total energy: -1386.481842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.481842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.281842 (E_RNA)
where:
Base-Base interactions energy: -800.779
where: short stacking energy: -334.251
Base-Backbone interact. energy: -3.471
local terms energy: -377.031849
where:
bonds (distance) C4'-P energy: -73.898
bonds (distance) P-C4' energy: -74.120
flat angles C4'-P-C4' energy: -81.025
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -93.981
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1341.625287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.625287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.825287 (E_RNA)
where:
Base-Base interactions energy: -793.318
where: short stacking energy: -309.361
Base-Backbone interact. energy: -1.341
local terms energy: -329.166359
where:
bonds (distance) C4'-P energy: -62.797
bonds (distance) P-C4' energy: -71.273
flat angles C4'-P-C4' energy: -63.115
flat angles P-C4'-P energy: -54.726
tors. eta vs tors. theta energy: -77.255
Dist. restrs. and SS energy: -217.800 (S_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: 351
Temperature: 1.100000
Total energy: -1237.308715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.308715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.708715 (E_RNA)
where:
Base-Base interactions energy: -707.522
where: short stacking energy: -278.753
Base-Backbone interact. energy: -1.064
local terms energy: -327.122830
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -71.074
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -76.038
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1275.512397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.512397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.512397 (E_RNA)
where:
Base-Base interactions energy: -737.914
where: short stacking energy: -299.796
Base-Backbone interact. energy: -1.930
local terms energy: -319.668042
where:
bonds (distance) C4'-P energy: -58.257
bonds (distance) P-C4' energy: -67.812
flat angles C4'-P-C4' energy: -80.156
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -76.697
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1227.579083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.579083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.779083 (E_RNA)
where:
Base-Base interactions energy: -704.149
where: short stacking energy: -270.102
Base-Backbone interact. energy: -5.196
local terms energy: -318.434295
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -68.165
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -52.252
tors. eta vs tors. theta energy: -77.347
Dist. restrs. and SS energy: -199.800 (S_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: 351
Temperature: 1.250000
Total energy: -1100.215402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.215402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.215402 (E_RNA)
where:
Base-Base interactions energy: -617.046
where: short stacking energy: -264.491
Base-Backbone interact. energy: -1.992
local terms energy: -283.177850
where:
bonds (distance) C4'-P energy: -53.043
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -35.724
tors. eta vs tors. theta energy: -65.150
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1093.726331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.726331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.326331 (E_RNA)
where:
Base-Base interactions energy: -621.397
where: short stacking energy: -242.466
Base-Backbone interact. energy: 0.490
local terms energy: -269.419816
where:
bonds (distance) C4'-P energy: -68.393
bonds (distance) P-C4' energy: -55.465
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -58.140
Dist. restrs. and SS energy: -203.400 (S_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: -1055.869901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.869901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.869901 (E_RNA)
where:
Base-Base interactions energy: -612.142
where: short stacking energy: -248.534
Base-Backbone interact. energy: -2.477
local terms energy: -252.250660
where:
bonds (distance) C4'-P energy: -66.202
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -64.061
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -50.279
Dist. restrs. and SS energy: -189.000 (S_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: 352
Temperature: 0.900000
Total energy: -1464.669647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.669647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.469647 (E_RNA)
where:
Base-Base interactions energy: -898.230
where: short stacking energy: -347.650
Base-Backbone interact. energy: -3.083
local terms energy: -358.157076
where:
bonds (distance) C4'-P energy: -74.613
bonds (distance) P-C4' energy: -77.516
flat angles C4'-P-C4' energy: -75.176
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: -86.984
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1415.313841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.313841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.313841 (E_RNA)
where:
Base-Base interactions energy: -836.080
where: short stacking energy: -341.768
Base-Backbone interact. energy: -0.713
local terms energy: -371.520043
where:
bonds (distance) C4'-P energy: -72.017
bonds (distance) P-C4' energy: -77.559
flat angles C4'-P-C4' energy: -77.993
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -94.331
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1348.933600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.933600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.333600 (E_RNA)
where:
Base-Base interactions energy: -788.473
where: short stacking energy: -315.794
Base-Backbone interact. energy: -2.453
local terms energy: -347.407396
where:
bonds (distance) C4'-P energy: -63.893
bonds (distance) P-C4' energy: -75.478
flat angles C4'-P-C4' energy: -85.717
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1355.396424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.396424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.396424 (E_RNA)
where:
Base-Base interactions energy: -803.030
where: short stacking energy: -330.759
Base-Backbone interact. energy: 1.182
local terms energy: -346.548712
where:
bonds (distance) C4'-P energy: -63.949
bonds (distance) P-C4' energy: -57.061
flat angles C4'-P-C4' energy: -80.455
flat angles P-C4'-P energy: -56.546
tors. eta vs tors. theta energy: -88.538
Dist. restrs. and SS energy: -207.000 (S_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: 352
Temperature: 1.100000
Total energy: -1228.460573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.460573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.660573 (E_RNA)
where:
Base-Base interactions energy: -685.461
where: short stacking energy: -286.511
Base-Backbone interact. energy: -2.554
local terms energy: -340.646063
where:
bonds (distance) C4'-P energy: -71.464
bonds (distance) P-C4' energy: -61.428
flat angles C4'-P-C4' energy: -77.563
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -83.722
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1265.089519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.089519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.089519 (E_RNA)
where:
Base-Base interactions energy: -767.996
where: short stacking energy: -293.529
Base-Backbone interact. energy: -2.576
local terms energy: -278.517652
where:
bonds (distance) C4'-P energy: -44.462
bonds (distance) P-C4' energy: -62.193
flat angles C4'-P-C4' energy: -70.555
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -65.514
Dist. restrs. and SS energy: -216.000 (S_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: 352
Temperature: 1.200000
Total energy: -1152.952142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.952142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.552142 (E_RNA)
where:
Base-Base interactions energy: -650.088
where: short stacking energy: -264.964
Base-Backbone interact. energy: -1.563
local terms energy: -297.901813
where:
bonds (distance) C4'-P energy: -63.737
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -71.112
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -61.510
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1187.171228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.171228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.371228 (E_RNA)
where:
Base-Base interactions energy: -703.519
where: short stacking energy: -295.570
Base-Backbone interact. energy: -1.629
local terms energy: -282.223715
where:
bonds (distance) C4'-P energy: -45.755
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -66.506
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -72.404
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1064.582491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.582491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.582491 (E_RNA)
where:
Base-Base interactions energy: -609.866
where: short stacking energy: -228.391
Base-Backbone interact. energy: -2.608
local terms energy: -254.108570
where:
bonds (distance) C4'-P energy: -52.993
bonds (distance) P-C4' energy: -63.109
flat angles C4'-P-C4' energy: -57.296
flat angles P-C4'-P energy: -36.358
tors. eta vs tors. theta energy: -44.353
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1047.813515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.813515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.213515 (E_RNA)
where:
Base-Base interactions energy: -579.840
where: short stacking energy: -216.095
Base-Backbone interact. energy: 0.951
local terms energy: -276.323895
where:
bonds (distance) C4'-P energy: -49.912
bonds (distance) P-C4' energy: -60.283
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -55.137
Dist. restrs. and SS energy: -192.600 (S_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: 353
Temperature: 0.900000
Total energy: -1473.711359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.711359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.911359 (E_RNA)
where:
Base-Base interactions energy: -903.710
where: short stacking energy: -350.296
Base-Backbone interact. energy: -0.442
local terms energy: -360.758989
where:
bonds (distance) C4'-P energy: -58.541
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -74.468
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -96.398
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1441.030327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.030327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.230327 (E_RNA)
where:
Base-Base interactions energy: -865.791
where: short stacking energy: -336.991
Base-Backbone interact. energy: 2.153
local terms energy: -368.592054
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -77.170
flat angles C4'-P-C4' energy: -79.572
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -99.474
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1352.199082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.199082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.999082 (E_RNA)
where:
Base-Base interactions energy: -812.024
where: short stacking energy: -314.720
Base-Backbone interact. energy: -0.101
local terms energy: -325.873803
where:
bonds (distance) C4'-P energy: -56.425
bonds (distance) P-C4' energy: -63.727
flat angles C4'-P-C4' energy: -80.727
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -75.492
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1370.332455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.332455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.332455 (E_RNA)
where:
Base-Base interactions energy: -830.612
where: short stacking energy: -327.603
Base-Backbone interact. energy: -0.716
local terms energy: -332.004599
where:
bonds (distance) C4'-P energy: -70.105
bonds (distance) P-C4' energy: -60.755
flat angles C4'-P-C4' energy: -78.464
flat angles P-C4'-P energy: -42.825
tors. eta vs tors. theta energy: -79.855
Dist. restrs. and SS energy: -207.000 (S_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: 353
Temperature: 1.100000
Total energy: -1256.536847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.536847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.736847 (E_RNA)
where:
Base-Base interactions energy: -704.250
where: short stacking energy: -290.376
Base-Backbone interact. energy: 0.760
local terms energy: -353.247628
where:
bonds (distance) C4'-P energy: -62.799
bonds (distance) P-C4' energy: -74.004
flat angles C4'-P-C4' energy: -73.838
flat angles P-C4'-P energy: -54.489
tors. eta vs tors. theta energy: -88.117
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1253.413794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.413794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.213794 (E_RNA)
where:
Base-Base interactions energy: -738.846
where: short stacking energy: -300.465
Base-Backbone interact. energy: -1.275
local terms energy: -299.092666
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -52.726
flat angles C4'-P-C4' energy: -65.160
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -73.070
Dist. restrs. and SS energy: -214.200 (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: 353
Temperature: 1.200000
Total energy: -1161.610027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.610027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.010027 (E_RNA)
where:
Base-Base interactions energy: -654.553
where: short stacking energy: -282.694
Base-Backbone interact. energy: 0.601
local terms energy: -306.057561
where:
bonds (distance) C4'-P energy: -66.104
bonds (distance) P-C4' energy: -68.045
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: -73.112
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1201.444424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.444424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.244424 (E_RNA)
where:
Base-Base interactions energy: -694.827
where: short stacking energy: -271.531
Base-Backbone interact. energy: -1.587
local terms energy: -308.829884
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -62.068
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -54.789
tors. eta vs tors. theta energy: -79.240
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1076.180793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.180793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.980793 (E_RNA)
where:
Base-Base interactions energy: -604.894
where: short stacking energy: -229.232
Base-Backbone interact. energy: -0.323
local terms energy: -274.763762
where:
bonds (distance) C4'-P energy: -55.959
bonds (distance) P-C4' energy: -72.653
flat angles C4'-P-C4' energy: -66.124
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1031.334155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.334155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.334155 (E_RNA)
where:
Base-Base interactions energy: -606.964
where: short stacking energy: -240.810
Base-Backbone interact. energy: 2.259
local terms energy: -237.628390
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -43.477
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -58.642
Dist. restrs. and SS energy: -189.000 (S_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: 354
Temperature: 0.900000
Total energy: -1478.264033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.264033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.264033 (E_RNA)
where:
Base-Base interactions energy: -883.919
where: short stacking energy: -350.783
Base-Backbone interact. energy: -1.809
local terms energy: -385.536024
where:
bonds (distance) C4'-P energy: -76.160
bonds (distance) P-C4' energy: -76.129
flat angles C4'-P-C4' energy: -75.664
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -91.901
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1437.258860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.258860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.058860 (E_RNA)
where:
Base-Base interactions energy: -870.011
where: short stacking energy: -353.104
Base-Backbone interact. energy: -0.753
local terms energy: -361.294536
where:
bonds (distance) C4'-P energy: -65.455
bonds (distance) P-C4' energy: -65.751
flat angles C4'-P-C4' energy: -81.918
flat angles P-C4'-P energy: -47.598
tors. eta vs tors. theta energy: -100.573
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1352.625335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.625335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.425335 (E_RNA)
where:
Base-Base interactions energy: -797.836
where: short stacking energy: -314.701
Base-Backbone interact. energy: -0.702
local terms energy: -339.887550
where:
bonds (distance) C4'-P energy: -75.948
bonds (distance) P-C4' energy: -75.671
flat angles C4'-P-C4' energy: -67.727
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -73.302
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1373.822358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.822358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.822358 (E_RNA)
where:
Base-Base interactions energy: -807.058
where: short stacking energy: -335.356
Base-Backbone interact. energy: 2.884
local terms energy: -362.648559
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -74.841
flat angles C4'-P-C4' energy: -81.992
flat angles P-C4'-P energy: -48.411
tors. eta vs tors. theta energy: -84.756
Dist. restrs. and SS energy: -207.000 (S_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: 354
Temperature: 1.100000
Total energy: -1237.459868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.459868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.459868 (E_RNA)
where:
Base-Base interactions energy: -706.056
where: short stacking energy: -304.112
Base-Backbone interact. energy: 3.654
local terms energy: -337.058197
where:
bonds (distance) C4'-P energy: -69.628
bonds (distance) P-C4' energy: -64.661
flat angles C4'-P-C4' energy: -69.893
flat angles P-C4'-P energy: -43.342
tors. eta vs tors. theta energy: -89.535
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1251.573861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.573861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.773861 (E_RNA)
where:
Base-Base interactions energy: -717.764
where: short stacking energy: -289.315
Base-Backbone interact. energy: -2.004
local terms energy: -323.005832
where:
bonds (distance) C4'-P energy: -62.059
bonds (distance) P-C4' energy: -69.624
flat angles C4'-P-C4' energy: -75.136
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -68.405
Dist. restrs. and SS energy: -208.800 (S_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: 354
Temperature: 1.200000
Total energy: -1157.697139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.697139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.497139 (E_RNA)
where:
Base-Base interactions energy: -683.005
where: short stacking energy: -251.023
Base-Backbone interact. energy: -0.645
local terms energy: -277.846804
where:
bonds (distance) C4'-P energy: -59.909
bonds (distance) P-C4' energy: -65.866
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -36.321
tors. eta vs tors. theta energy: -64.920
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1162.246072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.246072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.246072 (E_RNA)
where:
Base-Base interactions energy: -689.958
where: short stacking energy: -271.152
Base-Backbone interact. energy: -2.162
local terms energy: -272.125612
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -42.933
flat angles C4'-P-C4' energy: -67.456
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -67.978
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1073.102626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.102626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.502626 (E_RNA)
where:
Base-Base interactions energy: -620.816
where: short stacking energy: -247.314
Base-Backbone interact. energy: 2.007
local terms energy: -270.693920
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -56.117
Dist. restrs. and SS energy: -183.600 (S_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: -1033.229434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.229434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.429434 (E_RNA)
where:
Base-Base interactions energy: -577.124
where: short stacking energy: -227.419
Base-Backbone interact. energy: 1.318
local terms energy: -257.623167
where:
bonds (distance) C4'-P energy: -48.969
bonds (distance) P-C4' energy: -73.130
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -45.019
Dist. restrs. and SS energy: -199.800 (S_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: 355
Temperature: 0.900000
Total energy: -1471.986953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.986953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.986953 (E_RNA)
where:
Base-Base interactions energy: -896.987
where: short stacking energy: -359.627
Base-Backbone interact. energy: -1.541
local terms energy: -366.458138
where:
bonds (distance) C4'-P energy: -78.262
bonds (distance) P-C4' energy: -68.803
flat angles C4'-P-C4' energy: -75.682
flat angles P-C4'-P energy: -54.263
tors. eta vs tors. theta energy: -89.448
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1425.076355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.076355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.076355 (E_RNA)
where:
Base-Base interactions energy: -854.243
where: short stacking energy: -337.304
Base-Backbone interact. energy: -2.248
local terms energy: -361.585555
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -71.469
flat angles C4'-P-C4' energy: -78.791
flat angles P-C4'-P energy: -58.274
tors. eta vs tors. theta energy: -86.681
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1374.562458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.562458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.162458 (E_RNA)
where:
Base-Base interactions energy: -815.371
where: short stacking energy: -332.559
Base-Backbone interact. energy: 2.477
local terms energy: -349.268896
where:
bonds (distance) C4'-P energy: -74.741
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -74.420
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -82.675
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1361.551812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.551812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.351812 (E_RNA)
where:
Base-Base interactions energy: -791.066
where: short stacking energy: -335.159
Base-Backbone interact. energy: 0.164
local terms energy: -365.449893
where:
bonds (distance) C4'-P energy: -68.595
bonds (distance) P-C4' energy: -73.376
flat angles C4'-P-C4' energy: -78.022
flat angles P-C4'-P energy: -53.003
tors. eta vs tors. theta energy: -92.453
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1254.085995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.085995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.285995 (E_RNA)
where:
Base-Base interactions energy: -733.324
where: short stacking energy: -306.838
Base-Backbone interact. energy: -2.164
local terms energy: -327.797845
where:
bonds (distance) C4'-P energy: -65.802
bonds (distance) P-C4' energy: -69.546
flat angles C4'-P-C4' energy: -72.064
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -75.999
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1263.264402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.264402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.264402 (E_RNA)
where:
Base-Base interactions energy: -725.359
where: short stacking energy: -305.161
Base-Backbone interact. energy: -0.750
local terms energy: -321.155048
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -66.399
flat angles C4'-P-C4' energy: -72.817
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -86.629
Dist. restrs. and SS energy: -216.000 (S_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: 355
Temperature: 1.200000
Total energy: -1157.240708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.240708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.840708 (E_RNA)
where:
Base-Base interactions energy: -660.366
where: short stacking energy: -264.546
Base-Backbone interact. energy: -2.644
local terms energy: -290.830644
where:
bonds (distance) C4'-P energy: -55.949
bonds (distance) P-C4' energy: -61.053
flat angles C4'-P-C4' energy: -60.752
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -62.135
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1094.726461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.726461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.126461 (E_RNA)
where:
Base-Base interactions energy: -604.985
where: short stacking energy: -249.285
Base-Backbone interact. energy: -2.192
local terms energy: -294.949156
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -61.188
Dist. restrs. and SS energy: -192.600 (S_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: 355
Temperature: 1.300000
Total energy: -1052.945190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.945190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.145190 (E_RNA)
where:
Base-Base interactions energy: -625.259
where: short stacking energy: -253.278
Base-Backbone interact. energy: -1.698
local terms energy: -244.187698
where:
bonds (distance) C4'-P energy: -40.509
bonds (distance) P-C4' energy: -61.154
flat angles C4'-P-C4' energy: -60.999
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -59.643
Dist. restrs. and SS energy: -181.800 (S_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: -972.372573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.372573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.972573 (E_RNA)
where:
Base-Base interactions energy: -544.004
where: short stacking energy: -213.890
Base-Backbone interact. energy: 2.378
local terms energy: -254.346036
where:
bonds (distance) C4'-P energy: -65.271
bonds (distance) P-C4' energy: -63.521
flat angles C4'-P-C4' energy: -61.543
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -36.236
Dist. restrs. and SS energy: -176.400 (S_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: 356
Temperature: 0.900000
Total energy: -1483.486978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.486978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.286978 (E_RNA)
where:
Base-Base interactions energy: -886.165
where: short stacking energy: -363.223
Base-Backbone interact. energy: -2.684
local terms energy: -389.437809
where:
bonds (distance) C4'-P energy: -76.694
bonds (distance) P-C4' energy: -71.679
flat angles C4'-P-C4' energy: -85.302
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: -99.864
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1444.269210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.269210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.469210 (E_RNA)
where:
Base-Base interactions energy: -856.267
where: short stacking energy: -345.480
Base-Backbone interact. energy: -3.387
local terms energy: -375.815943
where:
bonds (distance) C4'-P energy: -65.431
bonds (distance) P-C4' energy: -72.785
flat angles C4'-P-C4' energy: -81.424
flat angles P-C4'-P energy: -51.877
tors. eta vs tors. theta energy: -104.299
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1399.764953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.764953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.764953 (E_RNA)
where:
Base-Base interactions energy: -825.961
where: short stacking energy: -327.244
Base-Backbone interact. energy: -0.102
local terms energy: -357.702051
where:
bonds (distance) C4'-P energy: -72.930
bonds (distance) P-C4' energy: -69.931
flat angles C4'-P-C4' energy: -81.469
flat angles P-C4'-P energy: -50.005
tors. eta vs tors. theta energy: -83.367
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1356.469777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.469777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.869777 (E_RNA)
where:
Base-Base interactions energy: -807.959
where: short stacking energy: -343.090
Base-Backbone interact. energy: -0.053
local terms energy: -346.857937
where:
bonds (distance) C4'-P energy: -63.384
bonds (distance) P-C4' energy: -64.914
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -45.273
tors. eta vs tors. theta energy: -95.136
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1286.979242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.979242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.779242 (E_RNA)
where:
Base-Base interactions energy: -745.121
where: short stacking energy: -291.774
Base-Backbone interact. energy: -1.952
local terms energy: -325.706733
where:
bonds (distance) C4'-P energy: -67.676
bonds (distance) P-C4' energy: -63.444
flat angles C4'-P-C4' energy: -74.749
flat angles P-C4'-P energy: -38.943
tors. eta vs tors. theta energy: -80.895
Dist. restrs. and SS energy: -214.200 (S_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: 356
Temperature: 1.150000
Total energy: -1216.981714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.981714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.381714 (E_RNA)
where:
Base-Base interactions energy: -704.150
where: short stacking energy: -281.873
Base-Backbone interact. energy: -2.253
local terms energy: -317.978583
where:
bonds (distance) C4'-P energy: -59.886
bonds (distance) P-C4' energy: -67.715
flat angles C4'-P-C4' energy: -66.280
flat angles P-C4'-P energy: -50.477
tors. eta vs tors. theta energy: -73.620
Dist. restrs. and SS energy: -192.600 (S_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: 356
Temperature: 1.200000
Total energy: -1160.687744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.687744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.687744 (E_RNA)
where:
Base-Base interactions energy: -667.878
where: short stacking energy: -268.677
Base-Backbone interact. energy: -2.068
local terms energy: -292.741711
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -62.843
flat angles C4'-P-C4' energy: -70.746
flat angles P-C4'-P energy: -48.467
tors. eta vs tors. theta energy: -57.283
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1098.984962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.984962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.384962 (E_RNA)
where:
Base-Base interactions energy: -638.995
where: short stacking energy: -277.877
Base-Backbone interact. energy: -0.026
local terms energy: -276.364434
where:
bonds (distance) C4'-P energy: -56.721
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -68.474
flat angles P-C4'-P energy: -34.017
tors. eta vs tors. theta energy: -62.948
Dist. restrs. and SS energy: -183.600 (S_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: 356
Temperature: 1.300000
Total energy: -1048.496373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.496373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.496373 (E_RNA)
where:
Base-Base interactions energy: -603.038
where: short stacking energy: -239.698
Base-Backbone interact. energy: 1.625
local terms energy: -267.084013
where:
bonds (distance) C4'-P energy: -49.067
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -52.031
Dist. restrs. and SS energy: -180.000 (S_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: -1035.107449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.107449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.907449 (E_RNA)
where:
Base-Base interactions energy: -581.457
where: short stacking energy: -223.841
Base-Backbone interact. energy: -1.615
local terms energy: -264.835763
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -67.790
flat angles P-C4'-P energy: -50.983
tors. eta vs tors. theta energy: -44.347
Dist. restrs. and SS energy: -187.200 (S_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: 357
Temperature: 0.900000
Total energy: -1455.229886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.229886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.229886 (E_RNA)
where:
Base-Base interactions energy: -865.534
where: short stacking energy: -354.683
Base-Backbone interact. energy: -2.707
local terms energy: -379.988503
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -79.370
flat angles C4'-P-C4' energy: -81.039
flat angles P-C4'-P energy: -56.287
tors. eta vs tors. theta energy: -97.686
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1479.409598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.409598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.609598 (E_RNA)
where:
Base-Base interactions energy: -881.403
where: short stacking energy: -362.118
Base-Backbone interact. energy: -1.503
local terms energy: -387.703191
where:
bonds (distance) C4'-P energy: -71.288
bonds (distance) P-C4' energy: -71.080
flat angles C4'-P-C4' energy: -89.451
flat angles P-C4'-P energy: -53.683
tors. eta vs tors. theta energy: -102.201
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1364.782482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.782482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.382482 (E_RNA)
where:
Base-Base interactions energy: -799.947
where: short stacking energy: -323.347
Base-Backbone interact. energy: -6.117
local terms energy: -346.318177
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -70.135
flat angles C4'-P-C4' energy: -81.879
flat angles P-C4'-P energy: -55.319
tors. eta vs tors. theta energy: -81.537
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1359.333925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.333925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.133925 (E_RNA)
where:
Base-Base interactions energy: -787.355
where: short stacking energy: -303.742
Base-Backbone interact. energy: 0.121
local terms energy: -366.899949
where:
bonds (distance) C4'-P energy: -81.408
bonds (distance) P-C4' energy: -80.871
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -52.986
tors. eta vs tors. theta energy: -74.663
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1309.612971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.612971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.612971 (E_RNA)
where:
Base-Base interactions energy: -762.591
where: short stacking energy: -294.298
Base-Backbone interact. energy: -0.455
local terms energy: -330.566939
where:
bonds (distance) C4'-P energy: -67.647
bonds (distance) P-C4' energy: -64.790
flat angles C4'-P-C4' energy: -67.736
flat angles P-C4'-P energy: -46.019
tors. eta vs tors. theta energy: -84.375
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1240.662421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.662421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.462421 (E_RNA)
where:
Base-Base interactions energy: -717.604
where: short stacking energy: -290.143
Base-Backbone interact. energy: -1.710
local terms energy: -325.148875
where:
bonds (distance) C4'-P energy: -63.157
bonds (distance) P-C4' energy: -70.920
flat angles C4'-P-C4' energy: -76.198
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -75.848
Dist. restrs. and SS energy: -196.200 (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: 357
Temperature: 1.200000
Total energy: -1161.381665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.381665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.181665 (E_RNA)
where:
Base-Base interactions energy: -673.985
where: short stacking energy: -273.290
Base-Backbone interact. energy: 1.526
local terms energy: -292.723186
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -75.008
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -68.723
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1102.036853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.036853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.636853 (E_RNA)
where:
Base-Base interactions energy: -627.265
where: short stacking energy: -267.112
Base-Backbone interact. energy: -3.257
local terms energy: -286.115541
where:
bonds (distance) C4'-P energy: -52.916
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -67.245
flat angles P-C4'-P energy: -50.486
tors. eta vs tors. theta energy: -60.123
Dist. restrs. and SS energy: -185.400 (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: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1088.096346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.096346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.896346 (E_RNA)
where:
Base-Base interactions energy: -613.502
where: short stacking energy: -259.029
Base-Backbone interact. energy: -0.668
local terms energy: -286.727135
where:
bonds (distance) C4'-P energy: -51.433
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -63.501
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -72.608
Dist. restrs. and SS energy: -187.200 (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: 357
Temperature: 1.350000
Total energy: -1008.305064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.305064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.305064 (E_RNA)
where:
Base-Base interactions energy: -579.243
where: short stacking energy: -221.331
Base-Backbone interact. energy: -1.388
local terms energy: -238.674092
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -60.704
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -51.785
Dist. restrs. and SS energy: -189.000 (S_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: 358
Temperature: 0.900000
Total energy: -1485.845352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.845352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.245352 (E_RNA)
where:
Base-Base interactions energy: -889.820
where: short stacking energy: -378.384
Base-Backbone interact. energy: -2.849
local terms energy: -391.576333
where:
bonds (distance) C4'-P energy: -75.684
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -83.820
flat angles P-C4'-P energy: -56.541
tors. eta vs tors. theta energy: -107.800
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1447.456493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.456493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.656493 (E_RNA)
where:
Base-Base interactions energy: -848.696
where: short stacking energy: -330.913
Base-Backbone interact. energy: -2.974
local terms energy: -386.986113
where:
bonds (distance) C4'-P energy: -78.659
bonds (distance) P-C4' energy: -71.138
flat angles C4'-P-C4' energy: -79.903
flat angles P-C4'-P energy: -55.325
tors. eta vs tors. theta energy: -101.961
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1371.859704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.859704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.259704 (E_RNA)
where:
Base-Base interactions energy: -810.340
where: short stacking energy: -326.632
Base-Backbone interact. energy: -1.733
local terms energy: -349.187150
where:
bonds (distance) C4'-P energy: -76.654
bonds (distance) P-C4' energy: -64.930
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -55.986
tors. eta vs tors. theta energy: -82.079
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1327.497645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.497645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.297645 (E_RNA)
where:
Base-Base interactions energy: -773.429
where: short stacking energy: -303.202
Base-Backbone interact. energy: -1.949
local terms energy: -346.919636
where:
bonds (distance) C4'-P energy: -60.722
bonds (distance) P-C4' energy: -76.557
flat angles C4'-P-C4' energy: -67.379
flat angles P-C4'-P energy: -54.937
tors. eta vs tors. theta energy: -87.324
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1323.238310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.238310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.438310 (E_RNA)
where:
Base-Base interactions energy: -760.267
where: short stacking energy: -322.530
Base-Backbone interact. energy: -2.036
local terms energy: -343.135451
where:
bonds (distance) C4'-P energy: -76.288
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -72.207
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -88.085
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1212.594339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.594339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.994339 (E_RNA)
where:
Base-Base interactions energy: -715.182
where: short stacking energy: -282.455
Base-Backbone interact. energy: 5.786
local terms energy: -301.599076
where:
bonds (distance) C4'-P energy: -68.221
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -63.144
flat angles P-C4'-P energy: -42.184
tors. eta vs tors. theta energy: -72.578
Dist. restrs. and SS energy: -201.600 (S_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: 358
Temperature: 1.200000
Total energy: -1182.141939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.141939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.741939 (E_RNA)
where:
Base-Base interactions energy: -669.439
where: short stacking energy: -247.746
Base-Backbone interact. energy: -0.838
local terms energy: -308.464896
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: -68.838
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1080.359971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.359971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.959971 (E_RNA)
where:
Base-Base interactions energy: -610.612
where: short stacking energy: -253.886
Base-Backbone interact. energy: 1.113
local terms energy: -285.460086
where:
bonds (distance) C4'-P energy: -63.569
bonds (distance) P-C4' energy: -54.358
flat angles C4'-P-C4' energy: -73.978
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -54.479
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1026.190349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.190349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.990349 (E_RNA)
where:
Base-Base interactions energy: -558.027
where: short stacking energy: -217.298
Base-Backbone interact. energy: 7.760
local terms energy: -288.723693
where:
bonds (distance) C4'-P energy: -63.938
bonds (distance) P-C4' energy: -65.717
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -44.569
tors. eta vs tors. theta energy: -46.762
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -972.562575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.562575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.362575 (E_RNA)
where:
Base-Base interactions energy: -527.441
where: short stacking energy: -219.128
Base-Backbone interact. energy: -0.878
local terms energy: -266.043946
where:
bonds (distance) C4'-P energy: -68.249
bonds (distance) P-C4' energy: -65.348
flat angles C4'-P-C4' energy: -49.763
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: -178.200 (S_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: 359
Temperature: 0.900000
Total energy: -1476.719889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.719889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.119889 (E_RNA)
where:
Base-Base interactions energy: -880.149
where: short stacking energy: -356.610
Base-Backbone interact. energy: -1.824
local terms energy: -393.146843
where:
bonds (distance) C4'-P energy: -69.810
bonds (distance) P-C4' energy: -82.939
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -58.643
tors. eta vs tors. theta energy: -103.080
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1439.897822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.897822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.297822 (E_RNA)
where:
Base-Base interactions energy: -869.116
where: short stacking energy: -359.309
Base-Backbone interact. energy: -4.891
local terms energy: -364.290233
where:
bonds (distance) C4'-P energy: -60.592
bonds (distance) P-C4' energy: -67.924
flat angles C4'-P-C4' energy: -82.263
flat angles P-C4'-P energy: -49.629
tors. eta vs tors. theta energy: -103.883
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1364.334477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.334477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.534477 (E_RNA)
where:
Base-Base interactions energy: -806.347
where: short stacking energy: -313.401
Base-Backbone interact. energy: -2.369
local terms energy: -337.818825
where:
bonds (distance) C4'-P energy: -63.101
bonds (distance) P-C4' energy: -73.410
flat angles C4'-P-C4' energy: -78.615
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -78.206
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1386.022280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.022280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.622280 (E_RNA)
where:
Base-Base interactions energy: -828.572
where: short stacking energy: -353.768
Base-Backbone interact. energy: -0.926
local terms energy: -353.124940
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -72.412
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -101.299
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1305.983907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.983907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.183907 (E_RNA)
where:
Base-Base interactions energy: -765.858
where: short stacking energy: -300.771
Base-Backbone interact. energy: -2.540
local terms energy: -328.785742
where:
bonds (distance) C4'-P energy: -54.103
bonds (distance) P-C4' energy: -77.928
flat angles C4'-P-C4' energy: -66.583
flat angles P-C4'-P energy: -45.642
tors. eta vs tors. theta energy: -84.530
Dist. restrs. and SS energy: -208.800 (S_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: 359
Temperature: 1.150000
Total energy: -1208.369880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.369880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.769880 (E_RNA)
where:
Base-Base interactions energy: -700.398
where: short stacking energy: -270.996
Base-Backbone interact. energy: -1.383
local terms energy: -295.988784
where:
bonds (distance) C4'-P energy: -70.986
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -57.489
flat angles P-C4'-P energy: -45.033
tors. eta vs tors. theta energy: -59.255
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1193.068962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.068962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.868962 (E_RNA)
where:
Base-Base interactions energy: -680.813
where: short stacking energy: -262.219
Base-Backbone interact. energy: 2.879
local terms energy: -318.934525
where:
bonds (distance) C4'-P energy: -62.500
bonds (distance) P-C4' energy: -67.602
flat angles C4'-P-C4' energy: -72.570
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -71.367
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1048.180888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.180888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.780888 (E_RNA)
where:
Base-Base interactions energy: -592.043
where: short stacking energy: -232.785
Base-Backbone interact. energy: -0.689
local terms energy: -270.048423
where:
bonds (distance) C4'-P energy: -63.530
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -53.170
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1037.286417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.286417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.686417 (E_RNA)
where:
Base-Base interactions energy: -585.265
where: short stacking energy: -210.118
Base-Backbone interact. energy: 0.595
local terms energy: -251.016931
where:
bonds (distance) C4'-P energy: -47.510
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -63.125
flat angles P-C4'-P energy: -29.462
tors. eta vs tors. theta energy: -42.896
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1028.231576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.631576 (E_RNA)
where:
Base-Base interactions energy: -554.314
where: short stacking energy: -201.986
Base-Backbone interact. energy: 4.546
local terms energy: -294.864201
where:
bonds (distance) C4'-P energy: -61.159
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -69.378
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -48.879
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1462.484608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.484608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.284608 (E_RNA)
where:
Base-Base interactions energy: -888.616
where: short stacking energy: -364.676
Base-Backbone interact. energy: 5.128
local terms energy: -373.796257
where:
bonds (distance) C4'-P energy: -64.537
bonds (distance) P-C4' energy: -76.047
flat angles C4'-P-C4' energy: -79.084
flat angles P-C4'-P energy: -56.007
tors. eta vs tors. theta energy: -98.122
Dist. restrs. and SS energy: -205.200 (S_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: 360
Temperature: 0.950000
Total energy: -1445.238741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.238741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.438741 (E_RNA)
where:
Base-Base interactions energy: -885.146
where: short stacking energy: -359.283
Base-Backbone interact. energy: -1.882
local terms energy: -358.410809
where:
bonds (distance) C4'-P energy: -71.520
bonds (distance) P-C4' energy: -62.417
flat angles C4'-P-C4' energy: -77.093
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -97.207
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1357.949280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.949280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.149280 (E_RNA)
where:
Base-Base interactions energy: -789.255
where: short stacking energy: -308.004
Base-Backbone interact. energy: -0.911
local terms energy: -349.983815
where:
bonds (distance) C4'-P energy: -68.313
bonds (distance) P-C4' energy: -71.386
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -50.864
tors. eta vs tors. theta energy: -78.977
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1400.898479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.898479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.498479 (E_RNA)
where:
Base-Base interactions energy: -839.298
where: short stacking energy: -357.247
Base-Backbone interact. energy: -0.928
local terms energy: -357.271953
where:
bonds (distance) C4'-P energy: -64.581
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -54.511
tors. eta vs tors. theta energy: -99.687
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1282.297936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.297936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.097936 (E_RNA)
where:
Base-Base interactions energy: -751.831
where: short stacking energy: -303.137
Base-Backbone interact. energy: -1.820
local terms energy: -314.446731
where:
bonds (distance) C4'-P energy: -52.278
bonds (distance) P-C4' energy: -73.239
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -47.264
tors. eta vs tors. theta energy: -77.427
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1192.705751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.705751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.905751 (E_RNA)
where:
Base-Base interactions energy: -661.858
where: short stacking energy: -275.409
Base-Backbone interact. energy: 1.034
local terms energy: -323.081429
where:
bonds (distance) C4'-P energy: -69.012
bonds (distance) P-C4' energy: -72.476
flat angles C4'-P-C4' energy: -76.290
flat angles P-C4'-P energy: -45.326
tors. eta vs tors. theta energy: -59.979
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1212.631958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.631958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.431958 (E_RNA)
where:
Base-Base interactions energy: -705.251
where: short stacking energy: -292.922
Base-Backbone interact. energy: -1.778
local terms energy: -309.402187
where:
bonds (distance) C4'-P energy: -57.145
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -70.722
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -73.823
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1076.651287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.651287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.451287 (E_RNA)
where:
Base-Base interactions energy: -589.352
where: short stacking energy: -240.495
Base-Backbone interact. energy: 0.652
local terms energy: -309.750881
where:
bonds (distance) C4'-P energy: -63.921
bonds (distance) P-C4' energy: -69.899
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -68.841
Dist. restrs. and SS energy: -178.200 (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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1039.685927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.685927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.085927 (E_RNA)
where:
Base-Base interactions energy: -579.477
where: short stacking energy: -207.724
Base-Backbone interact. energy: 0.324
local terms energy: -267.933324
where:
bonds (distance) C4'-P energy: -58.374
bonds (distance) P-C4' energy: -59.580
flat angles C4'-P-C4' energy: -67.806
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -57.307
Dist. restrs. and SS energy: -192.600 (S_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: 360
Temperature: 1.350000
Total energy: -1042.876868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.876868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.076868 (E_RNA)
where:
Base-Base interactions energy: -536.232
where: short stacking energy: -229.081
Base-Backbone interact. energy: 0.301
local terms energy: -316.145177
where:
bonds (distance) C4'-P energy: -66.799
bonds (distance) P-C4' energy: -68.861
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -52.403
tors. eta vs tors. theta energy: -62.478
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1463.875839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.875839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.075839 (E_RNA)
where:
Base-Base interactions energy: -855.374
where: short stacking energy: -354.262
Base-Backbone interact. energy: -0.146
local terms energy: -399.556042
where:
bonds (distance) C4'-P energy: -70.481
bonds (distance) P-C4' energy: -81.762
flat angles C4'-P-C4' energy: -92.168
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -102.546
Dist. restrs. and SS energy: -208.800 (S_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: 361
Temperature: 0.950000
Total energy: -1414.034252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.034252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.634252 (E_RNA)
where:
Base-Base interactions energy: -848.497
where: short stacking energy: -337.938
Base-Backbone interact. energy: -2.949
local terms energy: -359.188204
where:
bonds (distance) C4'-P energy: -70.336
bonds (distance) P-C4' energy: -70.243
flat angles C4'-P-C4' energy: -75.918
flat angles P-C4'-P energy: -53.121
tors. eta vs tors. theta energy: -89.572
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1347.056696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.056696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.656696 (E_RNA)
where:
Base-Base interactions energy: -786.784
where: short stacking energy: -313.121
Base-Backbone interact. energy: -0.125
local terms energy: -347.747588
where:
bonds (distance) C4'-P energy: -70.916
bonds (distance) P-C4' energy: -80.814
flat angles C4'-P-C4' energy: -75.647
flat angles P-C4'-P energy: -46.727
tors. eta vs tors. theta energy: -73.643
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1379.620297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.620297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.620297 (E_RNA)
where:
Base-Base interactions energy: -824.822
where: short stacking energy: -318.418
Base-Backbone interact. energy: 0.177
local terms energy: -356.975351
where:
bonds (distance) C4'-P energy: -65.842
bonds (distance) P-C4' energy: -73.772
flat angles C4'-P-C4' energy: -77.598
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -86.602
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1289.323514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.323514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.723514 (E_RNA)
where:
Base-Base interactions energy: -741.340
where: short stacking energy: -285.089
Base-Backbone interact. energy: -4.386
local terms energy: -323.997068
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -63.560
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -79.981
Dist. restrs. and SS energy: -219.600 (S_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: 361
Temperature: 1.150000
Total energy: -1219.945442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.945442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.545442 (E_RNA)
where:
Base-Base interactions energy: -716.422
where: short stacking energy: -278.986
Base-Backbone interact. energy: -0.288
local terms energy: -308.835688
where:
bonds (distance) C4'-P energy: -64.378
bonds (distance) P-C4' energy: -68.002
flat angles C4'-P-C4' energy: -72.340
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -63.032
Dist. restrs. and SS energy: -194.400 (S_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: 361
Temperature: 1.200000
Total energy: -1139.436612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.436612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.236612 (E_RNA)
where:
Base-Base interactions energy: -655.586
where: short stacking energy: -246.668
Base-Backbone interact. energy: 1.116
local terms energy: -279.766709
where:
bonds (distance) C4'-P energy: -52.200
bonds (distance) P-C4' energy: -59.117
flat angles C4'-P-C4' energy: -73.649
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -50.741
Dist. restrs. and SS energy: -205.200 (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: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1103.820699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.820699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.820699 (E_RNA)
where:
Base-Base interactions energy: -617.325
where: short stacking energy: -266.075
Base-Backbone interact. energy: -0.372
local terms energy: -288.123221
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -73.905
flat angles C4'-P-C4' energy: -70.195
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -56.156
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1062.437290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.437290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.837290 (E_RNA)
where:
Base-Base interactions energy: -610.581
where: short stacking energy: -239.143
Base-Backbone interact. energy: -0.899
local terms energy: -258.357930
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -59.584
flat angles C4'-P-C4' energy: -65.840
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -56.608
Dist. restrs. and SS energy: -192.600 (S_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: 361
Temperature: 1.350000
Total energy: -1014.424032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.424032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.424032 (E_RNA)
where:
Base-Base interactions energy: -565.996
where: short stacking energy: -227.053
Base-Backbone interact. energy: 3.137
local terms energy: -262.565472
where:
bonds (distance) C4'-P energy: -63.318
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -55.191
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1460.816908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.816908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.416908 (E_RNA)
where:
Base-Base interactions energy: -877.242
where: short stacking energy: -344.956
Base-Backbone interact. energy: -3.698
local terms energy: -376.477038
where:
bonds (distance) C4'-P energy: -65.620
bonds (distance) P-C4' energy: -71.452
flat angles C4'-P-C4' energy: -89.505
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -95.474
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1434.622466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.622466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.022466 (E_RNA)
where:
Base-Base interactions energy: -860.006
where: short stacking energy: -338.975
Base-Backbone interact. energy: -2.463
local terms energy: -370.553459
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -74.640
flat angles C4'-P-C4' energy: -83.042
flat angles P-C4'-P energy: -62.421
tors. eta vs tors. theta energy: -93.255
Dist. restrs. and SS energy: -201.600 (S_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: 362
Temperature: 1.000000
Total energy: -1412.098507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.098507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.298507 (E_RNA)
where:
Base-Base interactions energy: -831.268
where: short stacking energy: -355.919
Base-Backbone interact. energy: -0.764
local terms energy: -371.266159
where:
bonds (distance) C4'-P energy: -71.186
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -82.323
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -97.394
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1317.650122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.650122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.850122 (E_RNA)
where:
Base-Base interactions energy: -776.314
where: short stacking energy: -298.753
Base-Backbone interact. energy: -4.110
local terms energy: -328.425769
where:
bonds (distance) C4'-P energy: -60.374
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -76.390
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: -71.158
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1290.352258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.352258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.752258 (E_RNA)
where:
Base-Base interactions energy: -756.513
where: short stacking energy: -305.722
Base-Backbone interact. energy: -2.447
local terms energy: -311.792098
where:
bonds (distance) C4'-P energy: -46.316
bonds (distance) P-C4' energy: -61.609
flat angles C4'-P-C4' energy: -71.828
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -85.614
Dist. restrs. and SS energy: -219.600 (S_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: 362
Temperature: 1.150000
Total energy: -1201.133197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.133197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.333197 (E_RNA)
where:
Base-Base interactions energy: -691.244
where: short stacking energy: -298.468
Base-Backbone interact. energy: 2.317
local terms energy: -312.405692
where:
bonds (distance) C4'-P energy: -57.890
bonds (distance) P-C4' energy: -61.524
flat angles C4'-P-C4' energy: -65.866
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -83.315
Dist. restrs. and SS energy: -199.800 (S_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: 362
Temperature: 1.200000
Total energy: -1167.829019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.829019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.429019 (E_RNA)
where:
Base-Base interactions energy: -661.468
where: short stacking energy: -251.849
Base-Backbone interact. energy: -3.751
local terms energy: -290.210176
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -59.469
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -55.243
Dist. restrs. and SS energy: -212.400 (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: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1079.494229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.494229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.694229 (E_RNA)
where:
Base-Base interactions energy: -615.622
where: short stacking energy: -246.671
Base-Backbone interact. energy: 1.172
local terms energy: -283.245013
where:
bonds (distance) C4'-P energy: -50.187
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -69.473
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -54.371
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1084.091482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.091482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.091482 (E_RNA)
where:
Base-Base interactions energy: -597.718
where: short stacking energy: -232.378
Base-Backbone interact. energy: -1.938
local terms energy: -286.434962
where:
bonds (distance) C4'-P energy: -65.353
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -67.402
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -59.014
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -994.751453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.751453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.151453 (E_RNA)
where:
Base-Base interactions energy: -554.386
where: short stacking energy: -198.746
Base-Backbone interact. energy: -0.720
local terms energy: -256.044697
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -68.802
flat angles C4'-P-C4' energy: -64.332
flat angles P-C4'-P energy: -25.841
tors. eta vs tors. theta energy: -52.280
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1474.412285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.412285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.412285 (E_RNA)
where:
Base-Base interactions energy: -884.248
where: short stacking energy: -358.454
Base-Backbone interact. energy: -3.738
local terms energy: -379.425861
where:
bonds (distance) C4'-P energy: -78.916
bonds (distance) P-C4' energy: -74.930
flat angles C4'-P-C4' energy: -72.448
flat angles P-C4'-P energy: -55.908
tors. eta vs tors. theta energy: -97.224
Dist. restrs. and SS energy: -207.000 (S_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: 363
Temperature: 0.950000
Total energy: -1455.933607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.933607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.533607 (E_RNA)
where:
Base-Base interactions energy: -878.323
where: short stacking energy: -350.024
Base-Backbone interact. energy: -0.172
local terms energy: -374.038931
where:
bonds (distance) C4'-P energy: -59.421
bonds (distance) P-C4' energy: -77.148
flat angles C4'-P-C4' energy: -82.921
flat angles P-C4'-P energy: -55.702
tors. eta vs tors. theta energy: -98.847
Dist. restrs. and SS energy: -203.400 (S_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: 363
Temperature: 1.000000
Total energy: -1397.955854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.955854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.355854 (E_RNA)
where:
Base-Base interactions energy: -825.546
where: short stacking energy: -345.471
Base-Backbone interact. energy: -1.658
local terms energy: -369.152720
where:
bonds (distance) C4'-P energy: -67.569
bonds (distance) P-C4' energy: -71.872
flat angles C4'-P-C4' energy: -77.048
flat angles P-C4'-P energy: -57.804
tors. eta vs tors. theta energy: -94.860
Dist. restrs. and SS energy: -201.600 (S_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: 363
Temperature: 1.050000
Total energy: -1303.842832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.842832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.242832 (E_RNA)
where:
Base-Base interactions energy: -745.610
where: short stacking energy: -305.366
Base-Backbone interact. energy: -1.662
local terms energy: -345.970724
where:
bonds (distance) C4'-P energy: -75.120
bonds (distance) P-C4' energy: -70.068
flat angles C4'-P-C4' energy: -70.035
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -87.121
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1287.747087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.747087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.747087 (E_RNA)
where:
Base-Base interactions energy: -729.131
where: short stacking energy: -280.431
Base-Backbone interact. energy: -3.042
local terms energy: -339.574317
where:
bonds (distance) C4'-P energy: -74.468
bonds (distance) P-C4' energy: -67.534
flat angles C4'-P-C4' energy: -80.778
flat angles P-C4'-P energy: -44.018
tors. eta vs tors. theta energy: -72.775
Dist. restrs. and SS energy: -216.000 (S_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: -1188.415572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.415572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.215572 (E_RNA)
where:
Base-Base interactions energy: -689.447
where: short stacking energy: -278.700
Base-Backbone interact. energy: -2.081
local terms energy: -300.687725
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -67.613
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -76.802
Dist. restrs. and SS energy: -196.200 (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: 363
Temperature: 1.200000
Total energy: -1137.980633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.980633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.180633 (E_RNA)
where:
Base-Base interactions energy: -654.005
where: short stacking energy: -256.362
Base-Backbone interact. energy: 1.397
local terms energy: -285.572385
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -62.457
flat angles C4'-P-C4' energy: -60.904
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -52.416
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1115.404282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.404282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.404282 (E_RNA)
where:
Base-Base interactions energy: -618.655
where: short stacking energy: -246.725
Base-Backbone interact. energy: -1.359
local terms energy: -288.390151
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -70.381
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -26.996
tors. eta vs tors. theta energy: -59.704
Dist. restrs. and SS energy: -207.000 (S_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: 363
Temperature: 1.300000
Total energy: -1039.076609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.076609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.276609 (E_RNA)
where:
Base-Base interactions energy: -595.277
where: short stacking energy: -239.097
Base-Backbone interact. energy: -0.142
local terms energy: -261.857127
where:
bonds (distance) C4'-P energy: -61.540
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -49.970
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1058.721429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.721429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.121429 (E_RNA)
where:
Base-Base interactions energy: -605.782
where: short stacking energy: -243.384
Base-Backbone interact. energy: 0.687
local terms energy: -261.027220
where:
bonds (distance) C4'-P energy: -54.810
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -69.640
flat angles P-C4'-P energy: -31.053
tors. eta vs tors. theta energy: -53.751
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1471.927140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.927140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.127140 (E_RNA)
where:
Base-Base interactions energy: -876.761
where: short stacking energy: -361.577
Base-Backbone interact. energy: -2.788
local terms energy: -383.577295
where:
bonds (distance) C4'-P energy: -75.327
bonds (distance) P-C4' energy: -65.431
flat angles C4'-P-C4' energy: -78.069
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -102.745
Dist. restrs. and SS energy: -208.800 (S_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: 364
Temperature: 0.950000
Total energy: -1450.981087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.981087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.381087 (E_RNA)
where:
Base-Base interactions energy: -881.288
where: short stacking energy: -361.386
Base-Backbone interact. energy: -4.228
local terms energy: -363.865215
where:
bonds (distance) C4'-P energy: -64.948
bonds (distance) P-C4' energy: -74.930
flat angles C4'-P-C4' energy: -81.029
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -95.883
Dist. restrs. and SS energy: -201.600 (S_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: 364
Temperature: 1.000000
Total energy: -1378.227137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.227137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.027137 (E_RNA)
where:
Base-Base interactions energy: -826.589
where: short stacking energy: -337.720
Base-Backbone interact. energy: -2.149
local terms energy: -344.289117
where:
bonds (distance) C4'-P energy: -69.872
bonds (distance) P-C4' energy: -62.518
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -95.256
Dist. restrs. and SS energy: -205.200 (S_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: 364
Temperature: 1.050000
Total energy: -1306.757683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.757683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.157683 (E_RNA)
where:
Base-Base interactions energy: -760.938
where: short stacking energy: -326.054
Base-Backbone interact. energy: -1.597
local terms energy: -333.622734
where:
bonds (distance) C4'-P energy: -70.319
bonds (distance) P-C4' energy: -67.084
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -46.580
tors. eta vs tors. theta energy: -81.547
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1274.884031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.884031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.084031 (E_RNA)
where:
Base-Base interactions energy: -747.468
where: short stacking energy: -282.062
Base-Backbone interact. energy: 2.034
local terms energy: -320.650021
where:
bonds (distance) C4'-P energy: -65.029
bonds (distance) P-C4' energy: -65.363
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -46.445
tors. eta vs tors. theta energy: -65.392
Dist. restrs. and SS energy: -208.800 (S_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: -1198.971400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.971400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.971400 (E_RNA)
where:
Base-Base interactions energy: -689.178
where: short stacking energy: -283.948
Base-Backbone interact. energy: -2.374
local terms energy: -309.419048
where:
bonds (distance) C4'-P energy: -46.170
bonds (distance) P-C4' energy: -60.295
flat angles C4'-P-C4' energy: -72.305
flat angles P-C4'-P energy: -56.046
tors. eta vs tors. theta energy: -74.603
Dist. restrs. and SS energy: -198.000 (S_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: 364
Temperature: 1.200000
Total energy: -1158.495181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.495181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.295181 (E_RNA)
where:
Base-Base interactions energy: -663.805
where: short stacking energy: -242.622
Base-Backbone interact. energy: -2.251
local terms energy: -296.239525
where:
bonds (distance) C4'-P energy: -64.967
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -46.309
tors. eta vs tors. theta energy: -63.686
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1123.673553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.673553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.273553 (E_RNA)
where:
Base-Base interactions energy: -628.220
where: short stacking energy: -250.756
Base-Backbone interact. energy: 0.651
local terms energy: -301.705240
where:
bonds (distance) C4'-P energy: -63.656
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -69.627
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: -66.131
Dist. restrs. and SS energy: -194.400 (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: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1042.790451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.790451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.590451 (E_RNA)
where:
Base-Base interactions energy: -581.859
where: short stacking energy: -223.249
Base-Backbone interact. energy: 6.679
local terms energy: -271.410073
where:
bonds (distance) C4'-P energy: -54.082
bonds (distance) P-C4' energy: -64.305
flat angles C4'-P-C4' energy: -68.395
flat angles P-C4'-P energy: -39.269
tors. eta vs tors. theta energy: -45.359
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1033.186495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.186495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.586495 (E_RNA)
where:
Base-Base interactions energy: -571.501
where: short stacking energy: -233.201
Base-Backbone interact. energy: 2.840
local terms energy: -280.925788
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -63.418
flat angles C4'-P-C4' energy: -69.128
flat angles P-C4'-P energy: -41.448
tors. eta vs tors. theta energy: -50.345
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1482.637851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.837851 (E_RNA)
where:
Base-Base interactions energy: -888.495
where: short stacking energy: -358.136
Base-Backbone interact. energy: -3.238
local terms energy: -382.104834
where:
bonds (distance) C4'-P energy: -75.415
bonds (distance) P-C4' energy: -73.239
flat angles C4'-P-C4' energy: -71.164
flat angles P-C4'-P energy: -61.800
tors. eta vs tors. theta energy: -100.486
Dist. restrs. and SS energy: -208.800 (S_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: 365
Temperature: 0.950000
Total energy: -1436.511597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.511597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.911597 (E_RNA)
where:
Base-Base interactions energy: -863.798
where: short stacking energy: -357.568
Base-Backbone interact. energy: -3.493
local terms energy: -367.620192
where:
bonds (distance) C4'-P energy: -71.580
bonds (distance) P-C4' energy: -70.538
flat angles C4'-P-C4' energy: -79.606
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -92.787
Dist. restrs. and SS energy: -201.600 (S_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: 365
Temperature: 1.000000
Total energy: -1402.351026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.351026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.151026 (E_RNA)
where:
Base-Base interactions energy: -845.826
where: short stacking energy: -339.900
Base-Backbone interact. energy: 0.593
local terms energy: -351.917698
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -57.072
flat angles C4'-P-C4' energy: -73.207
flat angles P-C4'-P energy: -58.238
tors. eta vs tors. theta energy: -92.731
Dist. restrs. and SS energy: -205.200 (S_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: 365
Temperature: 1.050000
Total energy: -1349.373084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.373084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.173084 (E_RNA)
where:
Base-Base interactions energy: -794.082
where: short stacking energy: -346.336
Base-Backbone interact. energy: -1.656
local terms energy: -339.435105
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -71.544
flat angles P-C4'-P energy: -55.028
tors. eta vs tors. theta energy: -92.392
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1300.994282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.994282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.394282 (E_RNA)
where:
Base-Base interactions energy: -756.909
where: short stacking energy: -289.787
Base-Backbone interact. energy: -0.242
local terms energy: -333.242662
where:
bonds (distance) C4'-P energy: -69.524
bonds (distance) P-C4' energy: -65.737
flat angles C4'-P-C4' energy: -72.477
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: -79.313
Dist. restrs. and SS energy: -210.600 (S_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: 365
Temperature: 1.150000
Total energy: -1260.412707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.412707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.412707 (E_RNA)
where:
Base-Base interactions energy: -730.698
where: short stacking energy: -301.672
Base-Backbone interact. energy: 2.277
local terms energy: -333.991488
where:
bonds (distance) C4'-P energy: -67.966
bonds (distance) P-C4' energy: -68.689
flat angles C4'-P-C4' energy: -68.802
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -86.161
Dist. restrs. and SS energy: -198.000 (S_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: 365
Temperature: 1.200000
Total energy: -1140.060992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.060992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.660992 (E_RNA)
where:
Base-Base interactions energy: -660.859
where: short stacking energy: -277.687
Base-Backbone interact. energy: 1.927
local terms energy: -286.728228
where:
bonds (distance) C4'-P energy: -58.582
bonds (distance) P-C4' energy: -60.280
flat angles C4'-P-C4' energy: -69.320
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: -53.034
Dist. restrs. and SS energy: -194.400 (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: 365
Temperature: 1.250000
Total energy: -1132.905873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.105873 (E_RNA)
where:
Base-Base interactions energy: -643.420
where: short stacking energy: -254.977
Base-Backbone interact. energy: -2.768
local terms energy: -286.917833
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -57.787
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1016.897879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.897879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.097879 (E_RNA)
where:
Base-Base interactions energy: -581.581
where: short stacking energy: -204.361
Base-Backbone interact. energy: -2.758
local terms energy: -241.758242
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -69.770
flat angles P-C4'-P energy: -28.981
tors. eta vs tors. theta energy: -38.717
Dist. restrs. and SS energy: -190.800 (S_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: 365
Temperature: 1.350000
Total energy: -1017.531634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.531634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.131634 (E_RNA)
where:
Base-Base interactions energy: -582.453
where: short stacking energy: -239.543
Base-Backbone interact. energy: 4.021
local terms energy: -262.700214
where:
bonds (distance) C4'-P energy: -61.873
bonds (distance) P-C4' energy: -58.076
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -33.125
tors. eta vs tors. theta energy: -45.550
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1496.391647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.391647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.991647 (E_RNA)
where:
Base-Base interactions energy: -907.024
where: short stacking energy: -368.038
Base-Backbone interact. energy: -2.394
local terms energy: -383.573750
where:
bonds (distance) C4'-P energy: -66.124
bonds (distance) P-C4' energy: -73.909
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -58.530
tors. eta vs tors. theta energy: -103.630
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1430.996116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.996116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.396116 (E_RNA)
where:
Base-Base interactions energy: -866.048
where: short stacking energy: -353.006
Base-Backbone interact. energy: -1.805
local terms energy: -361.543169
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -72.816
flat angles C4'-P-C4' energy: -83.786
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -91.053
Dist. restrs. and SS energy: -201.600 (S_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: 366
Temperature: 1.000000
Total energy: -1401.871977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.871977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.871977 (E_RNA)
where:
Base-Base interactions energy: -813.209
where: short stacking energy: -314.089
Base-Backbone interact. energy: -1.709
local terms energy: -379.953821
where:
bonds (distance) C4'-P energy: -70.001
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -78.851
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -94.266
Dist. restrs. and SS energy: -207.000 (S_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: 366
Temperature: 1.050000
Total energy: -1292.173845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.173845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.573845 (E_RNA)
where:
Base-Base interactions energy: -747.004
where: short stacking energy: -310.672
Base-Backbone interact. energy: 0.327
local terms energy: -334.897799
where:
bonds (distance) C4'-P energy: -69.789
bonds (distance) P-C4' energy: -71.190
flat angles C4'-P-C4' energy: -76.883
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -69.502
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1293.918718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.918718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.518718 (E_RNA)
where:
Base-Base interactions energy: -758.054
where: short stacking energy: -298.242
Base-Backbone interact. energy: 6.497
local terms energy: -329.961679
where:
bonds (distance) C4'-P energy: -57.998
bonds (distance) P-C4' energy: -68.637
flat angles C4'-P-C4' energy: -69.590
flat angles P-C4'-P energy: -48.747
tors. eta vs tors. theta energy: -84.991
Dist. restrs. and SS energy: -212.400 (S_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: 366
Temperature: 1.150000
Total energy: -1231.889012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.889012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.289012 (E_RNA)
where:
Base-Base interactions energy: -711.988
where: short stacking energy: -309.824
Base-Backbone interact. energy: -1.905
local terms energy: -325.396074
where:
bonds (distance) C4'-P energy: -58.333
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -70.186
flat angles P-C4'-P energy: -56.291
tors. eta vs tors. theta energy: -89.749
Dist. restrs. and SS energy: -192.600 (S_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: 366
Temperature: 1.200000
Total energy: -1159.366744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.366744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.966744 (E_RNA)
where:
Base-Base interactions energy: -652.897
where: short stacking energy: -261.429
Base-Backbone interact. energy: -0.958
local terms energy: -311.111788
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -58.380
flat angles C4'-P-C4' energy: -83.401
flat angles P-C4'-P energy: -49.769
tors. eta vs tors. theta energy: -64.626
Dist. restrs. and SS energy: -194.400 (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: 366
Temperature: 1.250000
Total energy: -1134.359085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.359085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.159085 (E_RNA)
where:
Base-Base interactions energy: -636.730
where: short stacking energy: -257.083
Base-Backbone interact. energy: -1.131
local terms energy: -300.297872
where:
bonds (distance) C4'-P energy: -62.307
bonds (distance) P-C4' energy: -61.773
flat angles C4'-P-C4' energy: -75.895
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -59.931
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1033.527395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.527395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.727395 (E_RNA)
where:
Base-Base interactions energy: -554.088
where: short stacking energy: -226.105
Base-Backbone interact. energy: -1.199
local terms energy: -287.440419
where:
bonds (distance) C4'-P energy: -51.663
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -67.751
flat angles P-C4'-P energy: -47.174
tors. eta vs tors. theta energy: -53.920
Dist. restrs. and SS energy: -190.800 (S_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: 366
Temperature: 1.350000
Total energy: -1048.750396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.750396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.550396 (E_RNA)
where:
Base-Base interactions energy: -604.898
where: short stacking energy: -236.440
Base-Backbone interact. energy: -2.366
local terms energy: -254.286586
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -51.887
flat angles C4'-P-C4' energy: -61.745
flat angles P-C4'-P energy: -41.524
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1489.737022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.737022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.937022 (E_RNA)
where:
Base-Base interactions energy: -909.891
where: short stacking energy: -360.310
Base-Backbone interact. energy: -2.548
local terms energy: -368.497546
where:
bonds (distance) C4'-P energy: -65.441
bonds (distance) P-C4' energy: -77.072
flat angles C4'-P-C4' energy: -77.692
flat angles P-C4'-P energy: -47.468
tors. eta vs tors. theta energy: -100.825
Dist. restrs. and SS energy: -208.800 (S_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: 367
Temperature: 0.950000
Total energy: -1411.346912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.346912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.946912 (E_RNA)
where:
Base-Base interactions energy: -837.240
where: short stacking energy: -332.864
Base-Backbone interact. energy: -4.156
local terms energy: -366.550678
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -77.286
flat angles C4'-P-C4' energy: -85.246
flat angles P-C4'-P energy: -50.164
tors. eta vs tors. theta energy: -93.678
Dist. restrs. and SS energy: -203.400 (S_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: 367
Temperature: 1.000000
Total energy: -1384.903777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.903777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.703777 (E_RNA)
where:
Base-Base interactions energy: -830.153
where: short stacking energy: -327.183
Base-Backbone interact. energy: -1.270
local terms energy: -348.280845
where:
bonds (distance) C4'-P energy: -72.633
bonds (distance) P-C4' energy: -68.741
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -88.556
Dist. restrs. and SS energy: -205.200 (S_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: 367
Temperature: 1.050000
Total energy: -1315.812397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.812397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.612397 (E_RNA)
where:
Base-Base interactions energy: -759.903
where: short stacking energy: -324.960
Base-Backbone interact. energy: -2.924
local terms energy: -338.785725
where:
bonds (distance) C4'-P energy: -66.101
bonds (distance) P-C4' energy: -64.167
flat angles C4'-P-C4' energy: -74.025
flat angles P-C4'-P energy: -54.854
tors. eta vs tors. theta energy: -79.639
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1301.269715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.269715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.869715 (E_RNA)
where:
Base-Base interactions energy: -758.757
where: short stacking energy: -300.742
Base-Backbone interact. energy: -3.093
local terms energy: -327.019127
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -71.731
flat angles C4'-P-C4' energy: -73.375
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -80.181
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1219.569662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.569662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.769662 (E_RNA)
where:
Base-Base interactions energy: -697.597
where: short stacking energy: -285.974
Base-Backbone interact. energy: -2.402
local terms energy: -319.771127
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -66.773
flat angles C4'-P-C4' energy: -66.456
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -76.307
Dist. restrs. and SS energy: -199.800 (S_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: 367
Temperature: 1.200000
Total energy: -1128.424482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.424482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.624482 (E_RNA)
where:
Base-Base interactions energy: -637.067
where: short stacking energy: -252.258
Base-Backbone interact. energy: -0.546
local terms energy: -291.011307
where:
bonds (distance) C4'-P energy: -55.098
bonds (distance) P-C4' energy: -69.845
flat angles C4'-P-C4' energy: -69.936
flat angles P-C4'-P energy: -34.688
tors. eta vs tors. theta energy: -61.444
Dist. restrs. and SS energy: -199.800 (S_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: 367
Temperature: 1.250000
Total energy: -1174.240564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.240564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.440564 (E_RNA)
where:
Base-Base interactions energy: -672.733
where: short stacking energy: -283.097
Base-Backbone interact. energy: 1.061
local terms energy: -302.767727
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -76.499
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: -69.866
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1057.377125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.377125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.577125 (E_RNA)
where:
Base-Base interactions energy: -593.219
where: short stacking energy: -244.920
Base-Backbone interact. energy: -2.463
local terms energy: -270.895108
where:
bonds (distance) C4'-P energy: -57.625
bonds (distance) P-C4' energy: -60.794
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -64.338
Dist. restrs. and SS energy: -190.800 (S_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: 367
Temperature: 1.350000
Total energy: -1033.727066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.727066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.527066 (E_RNA)
where:
Base-Base interactions energy: -575.867
where: short stacking energy: -229.533
Base-Backbone interact. energy: -1.382
local terms energy: -269.278565
where:
bonds (distance) C4'-P energy: -64.971
bonds (distance) P-C4' energy: -69.868
flat angles C4'-P-C4' energy: -57.759
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -56.598
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1506.999290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.999290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.799290 (E_RNA)
where:
Base-Base interactions energy: -910.406
where: short stacking energy: -365.820
Base-Backbone interact. energy: -1.979
local terms energy: -389.414129
where:
bonds (distance) C4'-P energy: -72.226
bonds (distance) P-C4' energy: -71.936
flat angles C4'-P-C4' energy: -86.827
flat angles P-C4'-P energy: -48.983
tors. eta vs tors. theta energy: -109.443
Dist. restrs. and SS energy: -205.200 (S_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: 368
Temperature: 0.950000
Total energy: -1437.916199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.916199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.516199 (E_RNA)
where:
Base-Base interactions energy: -856.951
where: short stacking energy: -343.896
Base-Backbone interact. energy: -3.343
local terms energy: -374.221716
where:
bonds (distance) C4'-P energy: -67.211
bonds (distance) P-C4' energy: -73.369
flat angles C4'-P-C4' energy: -78.499
flat angles P-C4'-P energy: -60.459
tors. eta vs tors. theta energy: -94.684
Dist. restrs. and SS energy: -203.400 (S_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: 368
Temperature: 1.000000
Total energy: -1386.429549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.429549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.429549 (E_RNA)
where:
Base-Base interactions energy: -821.992
where: short stacking energy: -334.838
Base-Backbone interact. energy: -1.106
local terms energy: -356.331445
where:
bonds (distance) C4'-P energy: -59.190
bonds (distance) P-C4' energy: -78.366
flat angles C4'-P-C4' energy: -80.788
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -93.606
Dist. restrs. and SS energy: -207.000 (S_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: 368
Temperature: 1.050000
Total energy: -1332.120063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.120063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.120063 (E_RNA)
where:
Base-Base interactions energy: -785.653
where: short stacking energy: -315.694
Base-Backbone interact. energy: 0.578
local terms energy: -331.045556
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -79.112
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: -83.826
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1300.407250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.407250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.007250 (E_RNA)
where:
Base-Base interactions energy: -763.789
where: short stacking energy: -307.461
Base-Backbone interact. energy: 3.828
local terms energy: -328.046149
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -70.665
flat angles C4'-P-C4' energy: -72.130
flat angles P-C4'-P energy: -52.603
tors. eta vs tors. theta energy: -77.684
Dist. restrs. and SS energy: -212.400 (S_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: 368
Temperature: 1.150000
Total energy: -1239.428946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.428946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.028946 (E_RNA)
where:
Base-Base interactions energy: -712.501
where: short stacking energy: -288.733
Base-Backbone interact. energy: -3.121
local terms energy: -320.406309
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -65.131
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: -203.400 (S_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: 368
Temperature: 1.200000
Total energy: -1158.947089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.947089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.947089 (E_RNA)
where:
Base-Base interactions energy: -648.034
where: short stacking energy: -259.952
Base-Backbone interact. energy: -2.547
local terms energy: -310.366893
where:
bonds (distance) C4'-P energy: -55.915
bonds (distance) P-C4' energy: -66.154
flat angles C4'-P-C4' energy: -66.095
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -74.034
Dist. restrs. and SS energy: -198.000 (S_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: 368
Temperature: 1.250000
Total energy: -1144.797971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.797971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.197971 (E_RNA)
where:
Base-Base interactions energy: -669.133
where: short stacking energy: -262.658
Base-Backbone interact. energy: -0.877
local terms energy: -273.187016
where:
bonds (distance) C4'-P energy: -55.777
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -62.908
flat angles P-C4'-P energy: -47.689
tors. eta vs tors. theta energy: -53.089
Dist. restrs. and SS energy: -201.600 (S_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: 368
Temperature: 1.300000
Total energy: -1046.508669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.508669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.908669 (E_RNA)
where:
Base-Base interactions energy: -581.574
where: short stacking energy: -223.260
Base-Backbone interact. energy: 1.290
local terms energy: -273.624040
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -68.540
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -45.171
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1060.895660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.895660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.695660 (E_RNA)
where:
Base-Base interactions energy: -609.315
where: short stacking energy: -248.674
Base-Backbone interact. energy: -1.166
local terms energy: -263.214558
where:
bonds (distance) C4'-P energy: -51.299
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -36.847
tors. eta vs tors. theta energy: -59.608
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1495.700640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.700640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.500640 (E_RNA)
where:
Base-Base interactions energy: -898.360
where: short stacking energy: -364.546
Base-Backbone interact. energy: -1.351
local terms energy: -390.790087
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -76.894
flat angles C4'-P-C4' energy: -87.145
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: -105.147
Dist. restrs. and SS energy: -205.200 (S_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: 369
Temperature: 0.950000
Total energy: -1443.919711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.919711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.919711 (E_RNA)
where:
Base-Base interactions energy: -867.230
where: short stacking energy: -359.896
Base-Backbone interact. energy: 0.481
local terms energy: -379.170774
where:
bonds (distance) C4'-P energy: -58.188
bonds (distance) P-C4' energy: -77.083
flat angles C4'-P-C4' energy: -81.340
flat angles P-C4'-P energy: -61.574
tors. eta vs tors. theta energy: -100.987
Dist. restrs. and SS energy: -198.000 (S_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: 369
Temperature: 1.000000
Total energy: -1401.769460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.769460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.769460 (E_RNA)
where:
Base-Base interactions energy: -819.895
where: short stacking energy: -344.878
Base-Backbone interact. energy: -1.981
local terms energy: -372.892942
where:
bonds (distance) C4'-P energy: -74.109
bonds (distance) P-C4' energy: -72.750
flat angles C4'-P-C4' energy: -74.870
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -98.125
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1336.549988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.549988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.149988 (E_RNA)
where:
Base-Base interactions energy: -803.208
where: short stacking energy: -340.725
Base-Backbone interact. energy: 3.727
local terms energy: -324.668804
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -63.925
flat angles C4'-P-C4' energy: -74.748
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -86.354
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1263.644586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.644586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.644586 (E_RNA)
where:
Base-Base interactions energy: -739.054
where: short stacking energy: -298.498
Base-Backbone interact. energy: -0.018
local terms energy: -308.572621
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -68.686
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -69.099
Dist. restrs. and SS energy: -216.000 (S_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: 369
Temperature: 1.150000
Total energy: -1235.890178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.890178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.090178 (E_RNA)
where:
Base-Base interactions energy: -700.699
where: short stacking energy: -296.015
Base-Backbone interact. energy: 0.354
local terms energy: -335.745138
where:
bonds (distance) C4'-P energy: -62.166
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -72.927
flat angles P-C4'-P energy: -50.217
tors. eta vs tors. theta energy: -80.354
Dist. restrs. and SS energy: -199.800 (S_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: 369
Temperature: 1.200000
Total energy: -1141.366496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.366496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.766496 (E_RNA)
where:
Base-Base interactions energy: -654.938
where: short stacking energy: -261.367
Base-Backbone interact. energy: -4.104
local terms energy: -289.724841
where:
bonds (distance) C4'-P energy: -56.987
bonds (distance) P-C4' energy: -69.345
flat angles C4'-P-C4' energy: -66.783
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -69.062
Dist. restrs. and SS energy: -192.600 (S_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: 369
Temperature: 1.250000
Total energy: -1134.761217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.761217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.361217 (E_RNA)
where:
Base-Base interactions energy: -671.809
where: short stacking energy: -269.185
Base-Backbone interact. energy: 0.783
local terms energy: -269.335176
where:
bonds (distance) C4'-P energy: -62.496
bonds (distance) P-C4' energy: -49.077
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: -53.785
Dist. restrs. and SS energy: -194.400 (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: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1088.463914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.463914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.863914 (E_RNA)
where:
Base-Base interactions energy: -613.932
where: short stacking energy: -257.444
Base-Backbone interact. energy: -4.145
local terms energy: -277.786839
where:
bonds (distance) C4'-P energy: -61.590
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -66.178
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -71.346
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1059.260234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.260234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.460234 (E_RNA)
where:
Base-Base interactions energy: -599.915
where: short stacking energy: -247.735
Base-Backbone interact. energy: -1.875
local terms energy: -266.669894
where:
bonds (distance) C4'-P energy: -64.037
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -58.678
Dist. restrs. and SS energy: -190.800 (S_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: 370
Temperature: 0.900000
Total energy: -1473.800127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.800127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.400127 (E_RNA)
where:
Base-Base interactions energy: -886.570
where: short stacking energy: -360.189
Base-Backbone interact. energy: 0.003
local terms energy: -383.832345
where:
bonds (distance) C4'-P energy: -71.711
bonds (distance) P-C4' energy: -68.180
flat angles C4'-P-C4' energy: -87.326
flat angles P-C4'-P energy: -61.296
tors. eta vs tors. theta energy: -95.319
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1479.839806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.839806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.239806 (E_RNA)
where:
Base-Base interactions energy: -902.005
where: short stacking energy: -354.541
Base-Backbone interact. energy: 2.430
local terms energy: -378.664436
where:
bonds (distance) C4'-P energy: -77.735
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -86.264
flat angles P-C4'-P energy: -55.710
tors. eta vs tors. theta energy: -93.528
Dist. restrs. and SS energy: -201.600 (S_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: 370
Temperature: 1.000000
Total energy: -1385.699947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.699947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.299947 (E_RNA)
where:
Base-Base interactions energy: -825.279
where: short stacking energy: -335.893
Base-Backbone interact. energy: -0.205
local terms energy: -356.815857
where:
bonds (distance) C4'-P energy: -63.178
bonds (distance) P-C4' energy: -70.654
flat angles C4'-P-C4' energy: -76.351
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -95.303
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1325.380563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.380563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.780563 (E_RNA)
where:
Base-Base interactions energy: -781.060
where: short stacking energy: -324.599
Base-Backbone interact. energy: -1.760
local terms energy: -331.961198
where:
bonds (distance) C4'-P energy: -59.515
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -82.635
flat angles P-C4'-P energy: -47.591
tors. eta vs tors. theta energy: -76.505
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1295.971739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.971739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.771739 (E_RNA)
where:
Base-Base interactions energy: -752.539
where: short stacking energy: -308.968
Base-Backbone interact. energy: 1.159
local terms energy: -330.392043
where:
bonds (distance) C4'-P energy: -62.344
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -75.878
flat angles P-C4'-P energy: -55.070
tors. eta vs tors. theta energy: -78.335
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1230.811021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.811021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.411021 (E_RNA)
where:
Base-Base interactions energy: -712.712
where: short stacking energy: -297.551
Base-Backbone interact. energy: -1.428
local terms energy: -322.270528
where:
bonds (distance) C4'-P energy: -53.868
bonds (distance) P-C4' energy: -72.592
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -42.971
tors. eta vs tors. theta energy: -83.401
Dist. restrs. and SS energy: -194.400 (S_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: 370
Temperature: 1.200000
Total energy: -1164.683930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.683930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.083930 (E_RNA)
where:
Base-Base interactions energy: -665.948
where: short stacking energy: -259.468
Base-Backbone interact. energy: 0.360
local terms energy: -297.496054
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -63.976
flat angles C4'-P-C4' energy: -64.141
flat angles P-C4'-P energy: -51.051
tors. eta vs tors. theta energy: -64.495
Dist. restrs. and SS energy: -201.600 (S_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: 370
Temperature: 1.250000
Total energy: -1133.436361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.436361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.636361 (E_RNA)
where:
Base-Base interactions energy: -648.865
where: short stacking energy: -254.110
Base-Backbone interact. energy: -2.961
local terms energy: -281.810703
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -63.083
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: -58.706
Dist. restrs. and SS energy: -199.800 (S_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: 370
Temperature: 1.300000
Total energy: -1055.654117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.654117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.054117 (E_RNA)
where:
Base-Base interactions energy: -583.815
where: short stacking energy: -229.427
Base-Backbone interact. energy: -1.941
local terms energy: -286.298234
where:
bonds (distance) C4'-P energy: -62.882
bonds (distance) P-C4' energy: -66.420
flat angles C4'-P-C4' energy: -70.731
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -46.833
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1062.428139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.428139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.628139 (E_RNA)
where:
Base-Base interactions energy: -610.983
where: short stacking energy: -242.431
Base-Backbone interact. energy: 0.881
local terms energy: -261.525822
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -64.451
flat angles C4'-P-C4' energy: -51.715
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -54.626
Dist. restrs. and SS energy: -190.800 (S_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: 371
Temperature: 0.900000
Total energy: -1481.654595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.654595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.254595 (E_RNA)
where:
Base-Base interactions energy: -894.602
where: short stacking energy: -359.200
Base-Backbone interact. energy: -3.259
local terms energy: -380.394013
where:
bonds (distance) C4'-P energy: -64.205
bonds (distance) P-C4' energy: -69.934
flat angles C4'-P-C4' energy: -82.016
flat angles P-C4'-P energy: -60.048
tors. eta vs tors. theta energy: -104.190
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1455.311449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.311449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.311449 (E_RNA)
where:
Base-Base interactions energy: -880.441
where: short stacking energy: -343.750
Base-Backbone interact. energy: -2.264
local terms energy: -365.607140
where:
bonds (distance) C4'-P energy: -65.313
bonds (distance) P-C4' energy: -74.988
flat angles C4'-P-C4' energy: -76.639
flat angles P-C4'-P energy: -57.206
tors. eta vs tors. theta energy: -91.462
Dist. restrs. and SS energy: -207.000 (S_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: 371
Temperature: 1.000000
Total energy: -1387.065751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.065751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.465751 (E_RNA)
where:
Base-Base interactions energy: -834.975
where: short stacking energy: -337.706
Base-Backbone interact. energy: -2.667
local terms energy: -347.823922
where:
bonds (distance) C4'-P energy: -74.729
bonds (distance) P-C4' energy: -64.430
flat angles C4'-P-C4' energy: -70.957
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -93.457
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1318.142263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.142263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.342263 (E_RNA)
where:
Base-Base interactions energy: -783.786
where: short stacking energy: -315.268
Base-Backbone interact. energy: -3.779
local terms energy: -321.777440
where:
bonds (distance) C4'-P energy: -54.356
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -77.231
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1257.680661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.680661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.680661 (E_RNA)
where:
Base-Base interactions energy: -731.778
where: short stacking energy: -293.355
Base-Backbone interact. energy: -3.185
local terms energy: -306.718020
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -62.637
flat angles P-C4'-P energy: -47.478
tors. eta vs tors. theta energy: -69.435
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1219.842160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.842160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.242160 (E_RNA)
where:
Base-Base interactions energy: -707.407
where: short stacking energy: -269.082
Base-Backbone interact. energy: -3.734
local terms energy: -307.100797
where:
bonds (distance) C4'-P energy: -69.573
bonds (distance) P-C4' energy: -60.372
flat angles C4'-P-C4' energy: -68.682
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -66.209
Dist. restrs. and SS energy: -201.600 (S_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: 371
Temperature: 1.200000
Total energy: -1170.439346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.439346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.039346 (E_RNA)
where:
Base-Base interactions energy: -666.735
where: short stacking energy: -250.237
Base-Backbone interact. energy: 0.724
local terms energy: -310.028585
where:
bonds (distance) C4'-P energy: -62.564
bonds (distance) P-C4' energy: -70.448
flat angles C4'-P-C4' energy: -64.396
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -67.716
Dist. restrs. and SS energy: -194.400 (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: 371
Temperature: 1.250000
Total energy: -1122.108023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.108023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.308023 (E_RNA)
where:
Base-Base interactions energy: -646.848
where: short stacking energy: -257.913
Base-Backbone interact. energy: 1.188
local terms energy: -276.648121
where:
bonds (distance) C4'-P energy: -43.832
bonds (distance) P-C4' energy: -62.729
flat angles C4'-P-C4' energy: -63.863
flat angles P-C4'-P energy: -44.297
tors. eta vs tors. theta energy: -61.928
Dist. restrs. and SS energy: -199.800 (S_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: 371
Temperature: 1.300000
Total energy: -1044.030727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.030727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.230727 (E_RNA)
where:
Base-Base interactions energy: -591.503
where: short stacking energy: -242.949
Base-Backbone interact. energy: -0.873
local terms energy: -269.854746
where:
bonds (distance) C4'-P energy: -62.636
bonds (distance) P-C4' energy: -58.405
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -37.823
tors. eta vs tors. theta energy: -50.506
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1034.025855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.025855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.625855 (E_RNA)
where:
Base-Base interactions energy: -574.453
where: short stacking energy: -224.107
Base-Backbone interact. energy: -1.053
local terms energy: -255.120259
where:
bonds (distance) C4'-P energy: -50.310
bonds (distance) P-C4' energy: -64.204
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -42.176
Dist. restrs. and SS energy: -203.400 (S_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: 372
Temperature: 0.900000
Total energy: -1470.778428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.778428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.378428 (E_RNA)
where:
Base-Base interactions energy: -876.646
where: short stacking energy: -359.218
Base-Backbone interact. energy: -1.618
local terms energy: -389.114491
where:
bonds (distance) C4'-P energy: -86.583
bonds (distance) P-C4' energy: -72.922
flat angles C4'-P-C4' energy: -76.937
flat angles P-C4'-P energy: -57.225
tors. eta vs tors. theta energy: -95.448
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1446.165287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.165287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.965287 (E_RNA)
where:
Base-Base interactions energy: -873.525
where: short stacking energy: -347.604
Base-Backbone interact. energy: 0.437
local terms energy: -367.876397
where:
bonds (distance) C4'-P energy: -64.476
bonds (distance) P-C4' energy: -67.717
flat angles C4'-P-C4' energy: -80.088
flat angles P-C4'-P energy: -60.428
tors. eta vs tors. theta energy: -95.167
Dist. restrs. and SS energy: -205.200 (S_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: 372
Temperature: 1.000000
Total energy: -1399.911236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.911236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.511236 (E_RNA)
where:
Base-Base interactions energy: -824.766
where: short stacking energy: -337.402
Base-Backbone interact. energy: 4.153
local terms energy: -375.897733
where:
bonds (distance) C4'-P energy: -67.103
bonds (distance) P-C4' energy: -71.930
flat angles C4'-P-C4' energy: -81.574
flat angles P-C4'-P energy: -53.715
tors. eta vs tors. theta energy: -101.576
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1313.468481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.468481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.468481 (E_RNA)
where:
Base-Base interactions energy: -775.189
where: short stacking energy: -303.186
Base-Backbone interact. energy: -0.489
local terms energy: -321.790186
where:
bonds (distance) C4'-P energy: -67.132
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -75.291
flat angles P-C4'-P energy: -50.351
tors. eta vs tors. theta energy: -70.420
Dist. restrs. and SS energy: -216.000 (S_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: 372
Temperature: 1.100000
Total energy: -1285.850932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.850932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.250932 (E_RNA)
where:
Base-Base interactions energy: -748.590
where: short stacking energy: -310.063
Base-Backbone interact. energy: -3.591
local terms energy: -332.070127
where:
bonds (distance) C4'-P energy: -60.060
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -74.608
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -86.513
Dist. restrs. and SS energy: -201.600 (S_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: 372
Temperature: 1.150000
Total energy: -1232.191795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.191795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.191795 (E_RNA)
where:
Base-Base interactions energy: -718.514
where: short stacking energy: -299.031
Base-Backbone interact. energy: -1.977
local terms energy: -304.701410
where:
bonds (distance) C4'-P energy: -69.200
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -69.397
flat angles P-C4'-P energy: -40.764
tors. eta vs tors. theta energy: -76.487
Dist. restrs. and SS energy: -207.000 (S_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: 372
Temperature: 1.200000
Total energy: -1110.761805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.761805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.361805 (E_RNA)
where:
Base-Base interactions energy: -635.716
where: short stacking energy: -255.367
Base-Backbone interact. energy: 0.160
local terms energy: -280.805689
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -66.959
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -46.060
tors. eta vs tors. theta energy: -60.304
Dist. restrs. and SS energy: -194.400 (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: 372
Temperature: 1.250000
Total energy: -1137.130802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.130802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.530802 (E_RNA)
where:
Base-Base interactions energy: -655.925
where: short stacking energy: -263.044
Base-Backbone interact. energy: 0.076
local terms energy: -279.681511
where:
bonds (distance) C4'-P energy: -51.616
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -68.537
flat angles P-C4'-P energy: -41.751
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1104.593353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.593353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.593353 (E_RNA)
where:
Base-Base interactions energy: -623.423
where: short stacking energy: -241.300
Base-Backbone interact. energy: -1.970
local terms energy: -281.200546
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -60.017
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -56.272
Dist. restrs. and SS energy: -198.000 (S_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: 372
Temperature: 1.350000
Total energy: -1013.867203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.867203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.067203 (E_RNA)
where:
Base-Base interactions energy: -570.839
where: short stacking energy: -230.592
Base-Backbone interact. energy: -2.142
local terms energy: -259.086725
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -38.436
tors. eta vs tors. theta energy: -50.557
Dist. restrs. and SS energy: -181.800 (S_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: 373
Temperature: 0.900000
Total energy: -1470.664067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.664067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.864067 (E_RNA)
where:
Base-Base interactions energy: -889.759
where: short stacking energy: -368.669
Base-Backbone interact. energy: -2.432
local terms energy: -378.673722
where:
bonds (distance) C4'-P energy: -67.128
bonds (distance) P-C4' energy: -78.223
flat angles C4'-P-C4' energy: -85.170
flat angles P-C4'-P energy: -50.886
tors. eta vs tors. theta energy: -97.266
Dist. restrs. and SS energy: -199.800 (S_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: 373
Temperature: 0.950000
Total energy: -1416.033152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.033152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.233152 (E_RNA)
where:
Base-Base interactions energy: -825.401
where: short stacking energy: -347.858
Base-Backbone interact. energy: -2.330
local terms energy: -388.502310
where:
bonds (distance) C4'-P energy: -75.645
bonds (distance) P-C4' energy: -80.057
flat angles C4'-P-C4' energy: -80.227
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -95.623
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1415.729760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.729760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.529760 (E_RNA)
where:
Base-Base interactions energy: -839.296
where: short stacking energy: -339.137
Base-Backbone interact. energy: -2.132
local terms energy: -369.101563
where:
bonds (distance) C4'-P energy: -64.059
bonds (distance) P-C4' energy: -68.524
flat angles C4'-P-C4' energy: -83.872
flat angles P-C4'-P energy: -55.386
tors. eta vs tors. theta energy: -97.261
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1305.935085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.935085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.735085 (E_RNA)
where:
Base-Base interactions energy: -757.079
where: short stacking energy: -296.983
Base-Backbone interact. energy: 0.371
local terms energy: -335.027687
where:
bonds (distance) C4'-P energy: -62.732
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -83.110
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -80.549
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1259.805283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.805283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.005283 (E_RNA)
where:
Base-Base interactions energy: -729.196
where: short stacking energy: -300.723
Base-Backbone interact. energy: -2.987
local terms energy: -327.822515
where:
bonds (distance) C4'-P energy: -65.166
bonds (distance) P-C4' energy: -63.678
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -84.420
Dist. restrs. and SS energy: -199.800 (S_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: -1248.097991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.097991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.897991 (E_RNA)
where:
Base-Base interactions energy: -725.838
where: short stacking energy: -292.135
Base-Backbone interact. energy: -0.559
local terms energy: -307.500705
where:
bonds (distance) C4'-P energy: -66.573
bonds (distance) P-C4' energy: -63.232
flat angles C4'-P-C4' energy: -65.119
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -68.381
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1123.153815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.153815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.153815 (E_RNA)
where:
Base-Base interactions energy: -634.073
where: short stacking energy: -262.542
Base-Backbone interact. energy: -2.215
local terms energy: -288.865313
where:
bonds (distance) C4'-P energy: -66.110
bonds (distance) P-C4' energy: -58.361
flat angles C4'-P-C4' energy: -57.463
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -63.919
Dist. restrs. and SS energy: -198.000 (S_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: 373
Temperature: 1.250000
Total energy: -1134.454476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.454476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.854476 (E_RNA)
where:
Base-Base interactions energy: -638.178
where: short stacking energy: -230.328
Base-Backbone interact. energy: -2.942
local terms energy: -300.734090
where:
bonds (distance) C4'-P energy: -72.607
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -66.177
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -62.525
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1077.211119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.211119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.411119 (E_RNA)
where:
Base-Base interactions energy: -610.634
where: short stacking energy: -231.084
Base-Backbone interact. energy: -0.440
local terms energy: -266.336826
where:
bonds (distance) C4'-P energy: -56.371
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -62.307
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: -199.800 (S_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: 373
Temperature: 1.350000
Total energy: -1034.082441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.082441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.482441 (E_RNA)
where:
Base-Base interactions energy: -582.023
where: short stacking energy: -238.614
Base-Backbone interact. energy: -3.747
local terms energy: -264.712830
where:
bonds (distance) C4'-P energy: -46.046
bonds (distance) P-C4' energy: -52.247
flat angles C4'-P-C4' energy: -65.861
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: -183.600 (S_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: 374
Temperature: 0.900000
Total energy: -1456.715512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.715512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.915512 (E_RNA)
where:
Base-Base interactions energy: -860.235
where: short stacking energy: -361.836
Base-Backbone interact. energy: -0.022
local terms energy: -396.659132
where:
bonds (distance) C4'-P energy: -71.461
bonds (distance) P-C4' energy: -78.739
flat angles C4'-P-C4' energy: -82.304
flat angles P-C4'-P energy: -59.176
tors. eta vs tors. theta energy: -104.978
Dist. restrs. and SS energy: -199.800 (S_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: 374
Temperature: 0.950000
Total energy: -1405.082082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.082082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.682082 (E_RNA)
where:
Base-Base interactions energy: -829.814
where: short stacking energy: -332.826
Base-Backbone interact. energy: 0.323
local terms energy: -372.190816
where:
bonds (distance) C4'-P energy: -73.417
bonds (distance) P-C4' energy: -69.476
flat angles C4'-P-C4' energy: -82.032
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -96.831
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1437.207789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.207789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.207789 (E_RNA)
where:
Base-Base interactions energy: -865.986
where: short stacking energy: -338.926
Base-Backbone interact. energy: -1.050
local terms energy: -363.172614
where:
bonds (distance) C4'-P energy: -60.050
bonds (distance) P-C4' energy: -75.061
flat angles C4'-P-C4' energy: -89.788
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: -89.055
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1323.012455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.012455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.612455 (E_RNA)
where:
Base-Base interactions energy: -779.862
where: short stacking energy: -311.753
Base-Backbone interact. energy: -1.620
local terms energy: -329.130577
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -68.508
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -85.236
Dist. restrs. and SS energy: -212.400 (S_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: 374
Temperature: 1.100000
Total energy: -1275.753694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.753694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.953694 (E_RNA)
where:
Base-Base interactions energy: -744.880
where: short stacking energy: -302.385
Base-Backbone interact. energy: -3.265
local terms energy: -327.808557
where:
bonds (distance) C4'-P energy: -71.240
bonds (distance) P-C4' energy: -65.839
flat angles C4'-P-C4' energy: -68.357
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -76.332
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1260.050966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.050966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.650966 (E_RNA)
where:
Base-Base interactions energy: -739.214
where: short stacking energy: -290.061
Base-Backbone interact. energy: -2.262
local terms energy: -306.174777
where:
bonds (distance) C4'-P energy: -64.145
bonds (distance) P-C4' energy: -74.071
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -69.436
Dist. restrs. and SS energy: -212.400 (S_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: 374
Temperature: 1.200000
Total energy: -1166.814867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.814867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.814867 (E_RNA)
where:
Base-Base interactions energy: -658.822
where: short stacking energy: -278.624
Base-Backbone interact. energy: 2.862
local terms energy: -312.854518
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -74.572
flat angles C4'-P-C4' energy: -71.702
flat angles P-C4'-P energy: -34.225
tors. eta vs tors. theta energy: -78.918
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1084.992096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.992096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.592096 (E_RNA)
where:
Base-Base interactions energy: -621.585
where: short stacking energy: -248.643
Base-Backbone interact. energy: -0.983
local terms energy: -268.024276
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -68.056
flat angles P-C4'-P energy: -38.422
tors. eta vs tors. theta energy: -54.940
Dist. restrs. and SS energy: -194.400 (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: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1100.166481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.166481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.766481 (E_RNA)
where:
Base-Base interactions energy: -620.996
where: short stacking energy: -258.978
Base-Backbone interact. energy: 0.119
local terms energy: -275.888939
where:
bonds (distance) C4'-P energy: -59.380
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -62.981
flat angles P-C4'-P energy: -36.550
tors. eta vs tors. theta energy: -60.275
Dist. restrs. and SS energy: -203.400 (S_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: 374
Temperature: 1.350000
Total energy: -1019.461805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.461805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.261805 (E_RNA)
where:
Base-Base interactions energy: -574.025
where: short stacking energy: -224.389
Base-Backbone interact. energy: -0.290
local terms energy: -266.947123
where:
bonds (distance) C4'-P energy: -53.316
bonds (distance) P-C4' energy: -67.906
flat angles C4'-P-C4' energy: -66.800
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -55.822
Dist. restrs. and SS energy: -178.200 (S_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: 375
Temperature: 0.900000
Total energy: -1485.321179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.321179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.721179 (E_RNA)
where:
Base-Base interactions energy: -883.493
where: short stacking energy: -386.474
Base-Backbone interact. energy: -7.737
local terms energy: -392.491534
where:
bonds (distance) C4'-P energy: -68.420
bonds (distance) P-C4' energy: -70.669
flat angles C4'-P-C4' energy: -81.071
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -112.791
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1456.748362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.748362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.748362 (E_RNA)
where:
Base-Base interactions energy: -884.682
where: short stacking energy: -359.954
Base-Backbone interact. energy: -5.046
local terms energy: -360.020969
where:
bonds (distance) C4'-P energy: -63.761
bonds (distance) P-C4' energy: -66.863
flat angles C4'-P-C4' energy: -81.539
flat angles P-C4'-P energy: -53.394
tors. eta vs tors. theta energy: -94.464
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1418.753656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.753656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.953656 (E_RNA)
where:
Base-Base interactions energy: -844.686
where: short stacking energy: -356.022
Base-Backbone interact. energy: -1.937
local terms energy: -363.330925
where:
bonds (distance) C4'-P energy: -69.664
bonds (distance) P-C4' energy: -64.676
flat angles C4'-P-C4' energy: -74.836
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -106.520
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1315.409119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.409119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.209119 (E_RNA)
where:
Base-Base interactions energy: -763.790
where: short stacking energy: -298.792
Base-Backbone interact. energy: -3.398
local terms energy: -334.020679
where:
bonds (distance) C4'-P energy: -66.917
bonds (distance) P-C4' energy: -69.854
flat angles C4'-P-C4' energy: -73.058
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -75.693
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1259.329983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.329983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.329983 (E_RNA)
where:
Base-Base interactions energy: -733.763
where: short stacking energy: -301.152
Base-Backbone interact. energy: -1.403
local terms energy: -326.164165
where:
bonds (distance) C4'-P energy: -55.671
bonds (distance) P-C4' energy: -69.339
flat angles C4'-P-C4' energy: -72.361
flat angles P-C4'-P energy: -51.733
tors. eta vs tors. theta energy: -77.060
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1239.962375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.962375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.762375 (E_RNA)
where:
Base-Base interactions energy: -717.247
where: short stacking energy: -287.566
Base-Backbone interact. energy: -3.333
local terms energy: -323.182216
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -70.568
flat angles P-C4'-P energy: -50.371
tors. eta vs tors. theta energy: -77.956
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1216.359081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.359081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.959081 (E_RNA)
where:
Base-Base interactions energy: -703.799
where: short stacking energy: -275.768
Base-Backbone interact. energy: -2.309
local terms energy: -297.851297
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -66.450
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -37.408
tors. eta vs tors. theta energy: -74.617
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1135.309581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.309581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.909581 (E_RNA)
where:
Base-Base interactions energy: -637.483
where: short stacking energy: -252.776
Base-Backbone interact. energy: -2.577
local terms energy: -291.849056
where:
bonds (distance) C4'-P energy: -54.113
bonds (distance) P-C4' energy: -69.418
flat angles C4'-P-C4' energy: -64.034
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -57.324
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1068.008891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.008891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.208891 (E_RNA)
where:
Base-Base interactions energy: -593.063
where: short stacking energy: -239.315
Base-Backbone interact. energy: -0.465
local terms energy: -283.680714
where:
bonds (distance) C4'-P energy: -51.682
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -70.343
flat angles P-C4'-P energy: -47.478
tors. eta vs tors. theta energy: -49.249
Dist. restrs. and SS energy: -190.800 (S_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: 375
Temperature: 1.350000
Total energy: -1002.089584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.089584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.089584 (E_RNA)
where:
Base-Base interactions energy: -558.283
where: short stacking energy: -226.514
Base-Backbone interact. energy: -1.218
local terms energy: -262.588431
where:
bonds (distance) C4'-P energy: -61.996
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -36.222
tors. eta vs tors. theta energy: -49.649
Dist. restrs. and SS energy: -180.000 (S_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: 376
Temperature: 0.900000
Total energy: -1477.247318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.247318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.047318 (E_RNA)
where:
Base-Base interactions energy: -892.488
where: short stacking energy: -361.296
Base-Backbone interact. energy: -4.042
local terms energy: -384.516874
where:
bonds (distance) C4'-P energy: -68.746
bonds (distance) P-C4' energy: -80.090
flat angles C4'-P-C4' energy: -81.948
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -94.755
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1443.797754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.797754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.597754 (E_RNA)
where:
Base-Base interactions energy: -864.047
where: short stacking energy: -355.569
Base-Backbone interact. energy: -0.142
local terms energy: -374.408722
where:
bonds (distance) C4'-P energy: -65.457
bonds (distance) P-C4' energy: -74.130
flat angles C4'-P-C4' energy: -81.390
flat angles P-C4'-P energy: -49.261
tors. eta vs tors. theta energy: -104.171
Dist. restrs. and SS energy: -205.200 (S_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: 376
Temperature: 1.000000
Total energy: -1400.549069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.549069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.349069 (E_RNA)
where:
Base-Base interactions energy: -824.211
where: short stacking energy: -346.496
Base-Backbone interact. energy: -1.807
local terms energy: -369.331911
where:
bonds (distance) C4'-P energy: -68.999
bonds (distance) P-C4' energy: -77.119
flat angles C4'-P-C4' energy: -76.258
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: -93.442
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1311.731817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.731817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.531817 (E_RNA)
where:
Base-Base interactions energy: -758.935
where: short stacking energy: -303.348
Base-Backbone interact. energy: -4.031
local terms energy: -334.565491
where:
bonds (distance) C4'-P energy: -66.510
bonds (distance) P-C4' energy: -72.162
flat angles C4'-P-C4' energy: -78.197
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -68.534
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1289.169837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.169837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.769837 (E_RNA)
where:
Base-Base interactions energy: -745.275
where: short stacking energy: -303.879
Base-Backbone interact. energy: 0.274
local terms energy: -349.769321
where:
bonds (distance) C4'-P energy: -67.575
bonds (distance) P-C4' energy: -67.952
flat angles C4'-P-C4' energy: -72.892
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -81.149
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1257.834773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.834773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.634773 (E_RNA)
where:
Base-Base interactions energy: -727.910
where: short stacking energy: -291.712
Base-Backbone interact. energy: -1.906
local terms energy: -322.818826
where:
bonds (distance) C4'-P energy: -67.933
bonds (distance) P-C4' energy: -62.511
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -75.170
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1226.513439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.513439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.913439 (E_RNA)
where:
Base-Base interactions energy: -714.097
where: short stacking energy: -289.848
Base-Backbone interact. energy: -1.237
local terms energy: -300.579703
where:
bonds (distance) C4'-P energy: -64.574
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -69.484
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -70.552
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1142.728266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.728266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.728266 (E_RNA)
where:
Base-Base interactions energy: -652.005
where: short stacking energy: -265.429
Base-Backbone interact. energy: 3.546
local terms energy: -296.269136
where:
bonds (distance) C4'-P energy: -59.111
bonds (distance) P-C4' energy: -64.081
flat angles C4'-P-C4' energy: -66.484
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -61.529
Dist. restrs. and SS energy: -198.000 (S_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: 376
Temperature: 1.300000
Total energy: -1052.625175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.625175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.425175 (E_RNA)
where:
Base-Base interactions energy: -589.431
where: short stacking energy: -241.094
Base-Backbone interact. energy: 1.890
local terms energy: -286.884038
where:
bonds (distance) C4'-P energy: -46.985
bonds (distance) P-C4' energy: -72.470
flat angles C4'-P-C4' energy: -72.808
flat angles P-C4'-P energy: -39.894
tors. eta vs tors. theta energy: -54.728
Dist. restrs. and SS energy: -178.200 (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: 376
Temperature: 1.350000
Total energy: -1044.386507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.386507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.986507 (E_RNA)
where:
Base-Base interactions energy: -599.789
where: short stacking energy: -218.448
Base-Backbone interact. energy: -0.348
local terms energy: -249.849269
where:
bonds (distance) C4'-P energy: -59.658
bonds (distance) P-C4' energy: -49.129
flat angles C4'-P-C4' energy: -62.051
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -49.437
Dist. restrs. and SS energy: -194.400 (S_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: 377
Temperature: 0.900000
Total energy: -1485.725900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.725900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.125900 (E_RNA)
where:
Base-Base interactions energy: -900.160
where: short stacking energy: -360.949
Base-Backbone interact. energy: -4.209
local terms energy: -379.756177
where:
bonds (distance) C4'-P energy: -69.239
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -81.316
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -96.423
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1442.713317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.713317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.713317 (E_RNA)
where:
Base-Base interactions energy: -857.817
where: short stacking energy: -339.814
Base-Backbone interact. energy: 0.231
local terms energy: -378.127194
where:
bonds (distance) C4'-P energy: -71.862
bonds (distance) P-C4' energy: -63.995
flat angles C4'-P-C4' energy: -85.289
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -94.552
Dist. restrs. and SS energy: -207.000 (S_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: 377
Temperature: 1.000000
Total energy: -1375.210047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.210047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.610047 (E_RNA)
where:
Base-Base interactions energy: -803.548
where: short stacking energy: -349.022
Base-Backbone interact. energy: -0.497
local terms energy: -369.564524
where:
bonds (distance) C4'-P energy: -69.638
bonds (distance) P-C4' energy: -79.285
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -96.096
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1298.962231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.962231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.162231 (E_RNA)
where:
Base-Base interactions energy: -748.354
where: short stacking energy: -294.145
Base-Backbone interact. energy: -3.308
local terms energy: -338.501036
where:
bonds (distance) C4'-P energy: -77.563
bonds (distance) P-C4' energy: -63.506
flat angles C4'-P-C4' energy: -66.359
flat angles P-C4'-P energy: -62.841
tors. eta vs tors. theta energy: -68.232
Dist. restrs. and SS energy: -208.800 (S_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: 377
Temperature: 1.100000
Total energy: -1291.250251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.250251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.450251 (E_RNA)
where:
Base-Base interactions energy: -758.929
where: short stacking energy: -318.431
Base-Backbone interact. energy: 3.799
local terms energy: -345.320097
where:
bonds (distance) C4'-P energy: -71.829
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -69.038
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -83.336
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1208.621631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.621631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.021631 (E_RNA)
where:
Base-Base interactions energy: -667.808
where: short stacking energy: -266.628
Base-Backbone interact. energy: -1.254
local terms energy: -337.959808
where:
bonds (distance) C4'-P energy: -72.341
bonds (distance) P-C4' energy: -63.382
flat angles C4'-P-C4' energy: -75.975
flat angles P-C4'-P energy: -51.426
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1229.915120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.915120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.315120 (E_RNA)
where:
Base-Base interactions energy: -711.817
where: short stacking energy: -293.473
Base-Backbone interact. energy: 0.555
local terms energy: -308.053634
where:
bonds (distance) C4'-P energy: -66.080
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -71.610
flat angles P-C4'-P energy: -36.948
tors. eta vs tors. theta energy: -76.454
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1126.297522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.297522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.097522 (E_RNA)
where:
Base-Base interactions energy: -646.831
where: short stacking energy: -244.835
Base-Backbone interact. energy: 4.145
local terms energy: -278.410900
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -63.057
flat angles C4'-P-C4' energy: -65.239
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -55.655
Dist. restrs. and SS energy: -205.200 (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: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1079.145811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.145811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.745811 (E_RNA)
where:
Base-Base interactions energy: -631.283
where: short stacking energy: -278.514
Base-Backbone interact. energy: -0.308
local terms energy: -271.155092
where:
bonds (distance) C4'-P energy: -56.744
bonds (distance) P-C4' energy: -46.774
flat angles C4'-P-C4' energy: -59.476
flat angles P-C4'-P energy: -43.410
tors. eta vs tors. theta energy: -64.751
Dist. restrs. and SS energy: -176.400 (S_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: 377
Temperature: 1.350000
Total energy: -1039.347379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.347379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.347379 (E_RNA)
where:
Base-Base interactions energy: -584.401
where: short stacking energy: -228.307
Base-Backbone interact. energy: -1.575
local terms energy: -264.371184
where:
bonds (distance) C4'-P energy: -60.964
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -39.391
tors. eta vs tors. theta energy: -48.833
Dist. restrs. and SS energy: -189.000 (S_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: 378
Temperature: 0.900000
Total energy: -1458.386368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.386368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.786368 (E_RNA)
where:
Base-Base interactions energy: -890.968
where: short stacking energy: -362.472
Base-Backbone interact. energy: -3.381
local terms energy: -362.437226
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -76.388
flat angles P-C4'-P energy: -60.967
tors. eta vs tors. theta energy: -91.320
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1448.309030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.309030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.309030 (E_RNA)
where:
Base-Base interactions energy: -866.566
where: short stacking energy: -336.173
Base-Backbone interact. energy: -0.445
local terms energy: -374.297997
where:
bonds (distance) C4'-P energy: -62.594
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -86.746
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -97.027
Dist. restrs. and SS energy: -207.000 (S_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: 378
Temperature: 1.000000
Total energy: -1370.288652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.288652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.088652 (E_RNA)
where:
Base-Base interactions energy: -797.939
where: short stacking energy: -335.787
Base-Backbone interact. energy: -1.765
local terms energy: -365.384567
where:
bonds (distance) C4'-P energy: -74.114
bonds (distance) P-C4' energy: -67.471
flat angles C4'-P-C4' energy: -79.135
flat angles P-C4'-P energy: -54.632
tors. eta vs tors. theta energy: -90.033
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1319.593057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.593057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.193057 (E_RNA)
where:
Base-Base interactions energy: -781.050
where: short stacking energy: -310.989
Base-Backbone interact. energy: -2.952
local terms energy: -323.191929
where:
bonds (distance) C4'-P energy: -68.250
bonds (distance) P-C4' energy: -58.275
flat angles C4'-P-C4' energy: -75.570
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -80.688
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1274.085085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.085085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.085085 (E_RNA)
where:
Base-Base interactions energy: -738.367
where: short stacking energy: -287.891
Base-Backbone interact. energy: -2.159
local terms energy: -335.559141
where:
bonds (distance) C4'-P energy: -67.543
bonds (distance) P-C4' energy: -68.336
flat angles C4'-P-C4' energy: -63.796
flat angles P-C4'-P energy: -56.175
tors. eta vs tors. theta energy: -79.708
Dist. restrs. and SS energy: -198.000 (S_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: 378
Temperature: 1.150000
Total energy: -1247.062473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.062473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.862473 (E_RNA)
where:
Base-Base interactions energy: -702.960
where: short stacking energy: -290.141
Base-Backbone interact. energy: -1.307
local terms energy: -346.595056
where:
bonds (distance) C4'-P energy: -61.255
bonds (distance) P-C4' energy: -66.589
flat angles C4'-P-C4' energy: -73.346
flat angles P-C4'-P energy: -60.299
tors. eta vs tors. theta energy: -85.106
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1211.182102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.182102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.782102 (E_RNA)
where:
Base-Base interactions energy: -689.654
where: short stacking energy: -261.690
Base-Backbone interact. energy: -3.228
local terms energy: -305.900153
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -69.186
flat angles C4'-P-C4' energy: -75.181
flat angles P-C4'-P energy: -37.350
tors. eta vs tors. theta energy: -61.577
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1113.756796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.756796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.956796 (E_RNA)
where:
Base-Base interactions energy: -618.428
where: short stacking energy: -248.680
Base-Backbone interact. energy: -2.684
local terms energy: -283.843850
where:
bonds (distance) C4'-P energy: -68.503
bonds (distance) P-C4' energy: -49.392
flat angles C4'-P-C4' energy: -59.584
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -58.773
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1063.757874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.757874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.157874 (E_RNA)
where:
Base-Base interactions energy: -595.974
where: short stacking energy: -228.823
Base-Backbone interact. energy: -1.457
local terms energy: -273.727090
where:
bonds (distance) C4'-P energy: -62.508
bonds (distance) P-C4' energy: -75.565
flat angles C4'-P-C4' energy: -52.548
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -46.902
Dist. restrs. and SS energy: -192.600 (S_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: 378
Temperature: 1.350000
Total energy: -1028.350571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.350571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.550571 (E_RNA)
where:
Base-Base interactions energy: -586.865
where: short stacking energy: -228.876
Base-Backbone interact. energy: -1.891
local terms energy: -257.793993
where:
bonds (distance) C4'-P energy: -54.653
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -61.236
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: -46.487
Dist. restrs. and SS energy: -181.800 (S_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: 379
Temperature: 0.900000
Total energy: -1450.352941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.352941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.752941 (E_RNA)
where:
Base-Base interactions energy: -891.981
where: short stacking energy: -345.990
Base-Backbone interact. energy: 0.387
local terms energy: -357.158746
where:
bonds (distance) C4'-P energy: -77.582
bonds (distance) P-C4' energy: -67.237
flat angles C4'-P-C4' energy: -75.023
flat angles P-C4'-P energy: -44.296
tors. eta vs tors. theta energy: -93.022
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1445.633843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.633843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.633843 (E_RNA)
where:
Base-Base interactions energy: -855.020
where: short stacking energy: -360.381
Base-Backbone interact. energy: -3.086
local terms energy: -380.527531
where:
bonds (distance) C4'-P energy: -72.363
bonds (distance) P-C4' energy: -73.325
flat angles C4'-P-C4' energy: -81.708
flat angles P-C4'-P energy: -55.962
tors. eta vs tors. theta energy: -97.170
Dist. restrs. and SS energy: -207.000 (S_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: 379
Temperature: 1.000000
Total energy: -1364.548705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.548705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.548705 (E_RNA)
where:
Base-Base interactions energy: -793.918
where: short stacking energy: -322.510
Base-Backbone interact. energy: -0.970
local terms energy: -362.660918
where:
bonds (distance) C4'-P energy: -74.367
bonds (distance) P-C4' energy: -78.223
flat angles C4'-P-C4' energy: -73.127
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -87.835
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1322.352411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.352411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.152411 (E_RNA)
where:
Base-Base interactions energy: -776.405
where: short stacking energy: -317.998
Base-Backbone interact. energy: 0.888
local terms energy: -332.635443
where:
bonds (distance) C4'-P energy: -69.894
bonds (distance) P-C4' energy: -67.442
flat angles C4'-P-C4' energy: -71.984
flat angles P-C4'-P energy: -52.410
tors. eta vs tors. theta energy: -70.906
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1252.682999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.682999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.282999 (E_RNA)
where:
Base-Base interactions energy: -720.852
where: short stacking energy: -293.448
Base-Backbone interact. energy: -1.561
local terms energy: -326.869899
where:
bonds (distance) C4'-P energy: -66.339
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -80.621
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -84.105
Dist. restrs. and SS energy: -203.400 (S_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: 379
Temperature: 1.150000
Total energy: -1243.513699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.513699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.513699 (E_RNA)
where:
Base-Base interactions energy: -708.610
where: short stacking energy: -306.103
Base-Backbone interact. energy: -1.033
local terms energy: -326.870480
where:
bonds (distance) C4'-P energy: -59.473
bonds (distance) P-C4' energy: -65.623
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: -87.048
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1197.163565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.163565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.763565 (E_RNA)
where:
Base-Base interactions energy: -699.718
where: short stacking energy: -282.943
Base-Backbone interact. energy: -2.140
local terms energy: -300.905470
where:
bonds (distance) C4'-P energy: -52.686
bonds (distance) P-C4' energy: -64.775
flat angles C4'-P-C4' energy: -66.732
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: -74.410
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1088.523609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.523609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.523609 (E_RNA)
where:
Base-Base interactions energy: -619.336
where: short stacking energy: -248.741
Base-Backbone interact. energy: -1.975
local terms energy: -278.212469
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -61.364
flat angles C4'-P-C4' energy: -56.543
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -58.131
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1131.878613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.878613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.078613 (E_RNA)
where:
Base-Base interactions energy: -645.255
where: short stacking energy: -265.951
Base-Backbone interact. energy: -0.356
local terms energy: -277.467454
where:
bonds (distance) C4'-P energy: -52.948
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -67.391
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -65.159
Dist. restrs. and SS energy: -208.800 (S_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: 379
Temperature: 1.350000
Total energy: -1029.313476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.313476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.913476 (E_RNA)
where:
Base-Base interactions energy: -584.303
where: short stacking energy: -244.811
Base-Backbone interact. energy: 0.692
local terms energy: -260.303190
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -57.938
flat angles C4'-P-C4' energy: -59.305
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -60.705
Dist. restrs. and SS energy: -185.400 (S_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: 380
Temperature: 0.900000
Total energy: -1467.947153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.947153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.147153 (E_RNA)
where:
Base-Base interactions energy: -875.659
where: short stacking energy: -352.276
Base-Backbone interact. energy: -2.725
local terms energy: -389.762910
where:
bonds (distance) C4'-P energy: -70.686
bonds (distance) P-C4' energy: -79.944
flat angles C4'-P-C4' energy: -87.444
flat angles P-C4'-P energy: -54.939
tors. eta vs tors. theta energy: -96.750
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1426.363952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.363952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.963952 (E_RNA)
where:
Base-Base interactions energy: -857.638
where: short stacking energy: -344.497
Base-Backbone interact. energy: -3.031
local terms energy: -362.295221
where:
bonds (distance) C4'-P energy: -66.294
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -75.155
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -98.818
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1401.948673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.948673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.748673 (E_RNA)
where:
Base-Base interactions energy: -833.237
where: short stacking energy: -356.992
Base-Backbone interact. energy: -2.209
local terms energy: -361.303213
where:
bonds (distance) C4'-P energy: -65.080
bonds (distance) P-C4' energy: -70.974
flat angles C4'-P-C4' energy: -78.524
flat angles P-C4'-P energy: -47.393
tors. eta vs tors. theta energy: -99.334
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1307.588806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.588806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.388806 (E_RNA)
where:
Base-Base interactions energy: -754.193
where: short stacking energy: -294.764
Base-Backbone interact. energy: 4.170
local terms energy: -343.366178
where:
bonds (distance) C4'-P energy: -66.937
bonds (distance) P-C4' energy: -75.215
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -74.915
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1259.174403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.174403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.574403 (E_RNA)
where:
Base-Base interactions energy: -732.390
where: short stacking energy: -280.346
Base-Backbone interact. energy: -1.629
local terms energy: -323.555410
where:
bonds (distance) C4'-P energy: -54.173
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -74.035
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -84.686
Dist. restrs. and SS energy: -201.600 (S_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: 380
Temperature: 1.150000
Total energy: -1251.626577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.626577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.426577 (E_RNA)
where:
Base-Base interactions energy: -722.619
where: short stacking energy: -298.320
Base-Backbone interact. energy: 3.087
local terms energy: -317.895027
where:
bonds (distance) C4'-P energy: -67.888
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -53.150
tors. eta vs tors. theta energy: -68.738
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1203.933919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.933919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.133919 (E_RNA)
where:
Base-Base interactions energy: -702.618
where: short stacking energy: -282.517
Base-Backbone interact. energy: 0.615
local terms energy: -302.131436
where:
bonds (distance) C4'-P energy: -62.039
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -70.108
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -67.158
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1117.871060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.871060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.471060 (E_RNA)
where:
Base-Base interactions energy: -652.195
where: short stacking energy: -272.908
Base-Backbone interact. energy: -1.411
local terms energy: -269.865453
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -58.517
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: -53.141
Dist. restrs. and SS energy: -194.400 (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: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1088.049294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.049294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.449294 (E_RNA)
where:
Base-Base interactions energy: -610.566
where: short stacking energy: -250.896
Base-Backbone interact. energy: 0.454
local terms energy: -276.337189
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -60.105
flat angles C4'-P-C4' energy: -55.317
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -64.005
Dist. restrs. and SS energy: -201.600 (S_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: 380
Temperature: 1.350000
Total energy: -1020.123165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.123165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.123165 (E_RNA)
where:
Base-Base interactions energy: -576.798
where: short stacking energy: -239.997
Base-Backbone interact. energy: 0.681
local terms energy: -264.005592
where:
bonds (distance) C4'-P energy: -59.277
bonds (distance) P-C4' energy: -63.134
flat angles C4'-P-C4' energy: -60.971
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -45.595
Dist. restrs. and SS energy: -180.000 (S_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: 381
Temperature: 0.900000
Total energy: -1460.612266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.612266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.612266 (E_RNA)
where:
Base-Base interactions energy: -877.071
where: short stacking energy: -359.932
Base-Backbone interact. energy: -0.311
local terms energy: -385.230290
where:
bonds (distance) C4'-P energy: -75.504
bonds (distance) P-C4' energy: -68.082
flat angles C4'-P-C4' energy: -85.663
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: -97.303
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1445.720763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.720763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.520763 (E_RNA)
where:
Base-Base interactions energy: -865.800
where: short stacking energy: -344.308
Base-Backbone interact. energy: 3.746
local terms energy: -378.466774
where:
bonds (distance) C4'-P energy: -67.677
bonds (distance) P-C4' energy: -75.109
flat angles C4'-P-C4' energy: -81.662
flat angles P-C4'-P energy: -56.866
tors. eta vs tors. theta energy: -97.153
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1419.874492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.874492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.674492 (E_RNA)
where:
Base-Base interactions energy: -836.661
where: short stacking energy: -346.198
Base-Backbone interact. energy: -1.387
local terms energy: -376.626427
where:
bonds (distance) C4'-P energy: -72.475
bonds (distance) P-C4' energy: -69.707
flat angles C4'-P-C4' energy: -78.688
flat angles P-C4'-P energy: -57.240
tors. eta vs tors. theta energy: -98.517
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1291.178961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.178961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.378961 (E_RNA)
where:
Base-Base interactions energy: -753.541
where: short stacking energy: -303.910
Base-Backbone interact. energy: -1.697
local terms energy: -336.141305
where:
bonds (distance) C4'-P energy: -65.505
bonds (distance) P-C4' energy: -74.694
flat angles C4'-P-C4' energy: -82.028
flat angles P-C4'-P energy: -36.711
tors. eta vs tors. theta energy: -77.202
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1318.096841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.096841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.696841 (E_RNA)
where:
Base-Base interactions energy: -787.704
where: short stacking energy: -299.275
Base-Backbone interact. energy: -2.682
local terms energy: -315.310844
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -67.177
flat angles C4'-P-C4' energy: -66.385
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -77.355
Dist. restrs. and SS energy: -212.400 (S_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: 381
Temperature: 1.150000
Total energy: -1252.614903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.614903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.614903 (E_RNA)
where:
Base-Base interactions energy: -720.842
where: short stacking energy: -291.303
Base-Backbone interact. energy: -3.202
local terms energy: -321.571064
where:
bonds (distance) C4'-P energy: -59.197
bonds (distance) P-C4' energy: -70.803
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -72.528
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1180.355627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.355627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.555627 (E_RNA)
where:
Base-Base interactions energy: -664.920
where: short stacking energy: -262.697
Base-Backbone interact. energy: -1.846
local terms energy: -313.789493
where:
bonds (distance) C4'-P energy: -64.401
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -75.122
flat angles P-C4'-P energy: -43.065
tors. eta vs tors. theta energy: -63.548
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1168.993221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.993221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.193221 (E_RNA)
where:
Base-Base interactions energy: -704.708
where: short stacking energy: -267.659
Base-Backbone interact. energy: 8.443
local terms energy: -281.928696
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -57.645
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -64.307
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1051.740508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.740508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.940508 (E_RNA)
where:
Base-Base interactions energy: -598.942
where: short stacking energy: -233.115
Base-Backbone interact. energy: -3.962
local terms energy: -249.037379
where:
bonds (distance) C4'-P energy: -59.698
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -58.103
flat angles P-C4'-P energy: -35.049
tors. eta vs tors. theta energy: -44.011
Dist. restrs. and SS energy: -199.800 (S_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: 381
Temperature: 1.350000
Total energy: -1026.251430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.251430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.051430 (E_RNA)
where:
Base-Base interactions energy: -568.487
where: short stacking energy: -216.486
Base-Backbone interact. energy: -1.586
local terms energy: -277.978504
where:
bonds (distance) C4'-P energy: -57.653
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -64.577
flat angles P-C4'-P energy: -42.191
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1490.835734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.835734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.635734 (E_RNA)
where:
Base-Base interactions energy: -901.784
where: short stacking energy: -367.048
Base-Backbone interact. energy: -2.841
local terms energy: -381.010213
where:
bonds (distance) C4'-P energy: -67.458
bonds (distance) P-C4' energy: -73.522
flat angles C4'-P-C4' energy: -79.735
flat angles P-C4'-P energy: -58.138
tors. eta vs tors. theta energy: -102.157
Dist. restrs. and SS energy: -205.200 (S_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: 382
Temperature: 0.950000
Total energy: -1435.294525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.294525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.494525 (E_RNA)
where:
Base-Base interactions energy: -847.366
where: short stacking energy: -359.375
Base-Backbone interact. energy: -0.864
local terms energy: -387.264052
where:
bonds (distance) C4'-P energy: -79.906
bonds (distance) P-C4' energy: -82.338
flat angles C4'-P-C4' energy: -73.547
flat angles P-C4'-P energy: -54.872
tors. eta vs tors. theta energy: -96.602
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1419.202429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.202429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.802429 (E_RNA)
where:
Base-Base interactions energy: -852.965
where: short stacking energy: -347.773
Base-Backbone interact. energy: 3.726
local terms energy: -366.563135
where:
bonds (distance) C4'-P energy: -73.714
bonds (distance) P-C4' energy: -64.285
flat angles C4'-P-C4' energy: -80.211
flat angles P-C4'-P energy: -52.670
tors. eta vs tors. theta energy: -95.684
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1285.670994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.670994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.270994 (E_RNA)
where:
Base-Base interactions energy: -744.199
where: short stacking energy: -300.202
Base-Backbone interact. energy: 0.125
local terms energy: -329.196332
where:
bonds (distance) C4'-P energy: -56.174
bonds (distance) P-C4' energy: -77.531
flat angles C4'-P-C4' energy: -75.646
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -77.173
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1328.560863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.560863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.160863 (E_RNA)
where:
Base-Base interactions energy: -781.149
where: short stacking energy: -310.794
Base-Backbone interact. energy: 4.963
local terms energy: -339.974565
where:
bonds (distance) C4'-P energy: -73.619
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -74.794
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: -85.708
Dist. restrs. and SS energy: -212.400 (S_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: 382
Temperature: 1.150000
Total energy: -1257.526775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.526775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.126775 (E_RNA)
where:
Base-Base interactions energy: -733.971
where: short stacking energy: -303.661
Base-Backbone interact. energy: 0.595
local terms energy: -320.750875
where:
bonds (distance) C4'-P energy: -63.737
bonds (distance) P-C4' energy: -61.274
flat angles C4'-P-C4' energy: -67.862
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -73.248
Dist. restrs. and SS energy: -203.400 (S_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: 382
Temperature: 1.200000
Total energy: -1227.901479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.901479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.101479 (E_RNA)
where:
Base-Base interactions energy: -736.932
where: short stacking energy: -280.192
Base-Backbone interact. energy: -1.289
local terms energy: -280.881344
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -51.731
flat angles C4'-P-C4' energy: -74.415
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -61.676
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1150.292681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.292681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.092681 (E_RNA)
where:
Base-Base interactions energy: -657.330
where: short stacking energy: -244.475
Base-Backbone interact. energy: 3.688
local terms energy: -300.450599
where:
bonds (distance) C4'-P energy: -51.406
bonds (distance) P-C4' energy: -63.719
flat angles C4'-P-C4' energy: -72.211
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -68.249
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1074.276638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.276638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.676638 (E_RNA)
where:
Base-Base interactions energy: -620.578
where: short stacking energy: -219.824
Base-Backbone interact. energy: 1.032
local terms energy: -262.130937
where:
bonds (distance) C4'-P energy: -54.058
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -48.419
Dist. restrs. and SS energy: -192.600 (S_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: 382
Temperature: 1.350000
Total energy: -1045.623750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.623750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.223750 (E_RNA)
where:
Base-Base interactions energy: -591.573
where: short stacking energy: -244.910
Base-Backbone interact. energy: -0.200
local terms energy: -268.450608
where:
bonds (distance) C4'-P energy: -52.843
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -48.756
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1513.201338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.201338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.201338 (E_RNA)
where:
Base-Base interactions energy: -920.663
where: short stacking energy: -358.558
Base-Backbone interact. energy: -1.966
local terms energy: -383.572681
where:
bonds (distance) C4'-P energy: -66.490
bonds (distance) P-C4' energy: -78.966
flat angles C4'-P-C4' energy: -85.265
flat angles P-C4'-P energy: -50.368
tors. eta vs tors. theta energy: -102.485
Dist. restrs. and SS energy: -207.000 (S_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: 383
Temperature: 0.950000
Total energy: -1442.249592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.249592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.449592 (E_RNA)
where:
Base-Base interactions energy: -867.954
where: short stacking energy: -351.175
Base-Backbone interact. energy: -3.444
local terms energy: -371.051709
where:
bonds (distance) C4'-P energy: -63.013
bonds (distance) P-C4' energy: -69.074
flat angles C4'-P-C4' energy: -82.472
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -101.482
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1392.540225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.540225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.140225 (E_RNA)
where:
Base-Base interactions energy: -842.573
where: short stacking energy: -328.904
Base-Backbone interact. energy: -0.625
local terms energy: -345.941674
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -67.377
flat angles C4'-P-C4' energy: -77.472
flat angles P-C4'-P energy: -50.005
tors. eta vs tors. theta energy: -87.108
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1330.314131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.314131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.914131 (E_RNA)
where:
Base-Base interactions energy: -794.027
where: short stacking energy: -313.834
Base-Backbone interact. energy: -0.589
local terms energy: -323.298122
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -68.648
flat angles C4'-P-C4' energy: -69.592
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1272.883021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.883021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.283021 (E_RNA)
where:
Base-Base interactions energy: -750.273
where: short stacking energy: -294.905
Base-Backbone interact. energy: 0.012
local terms energy: -312.022222
where:
bonds (distance) C4'-P energy: -59.989
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -73.292
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -68.382
Dist. restrs. and SS energy: -210.600 (S_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: 383
Temperature: 1.150000
Total energy: -1263.100003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.100003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.300003 (E_RNA)
where:
Base-Base interactions energy: -733.864
where: short stacking energy: -302.481
Base-Backbone interact. energy: 1.244
local terms energy: -321.679727
where:
bonds (distance) C4'-P energy: -57.871
bonds (distance) P-C4' energy: -68.097
flat angles C4'-P-C4' energy: -79.553
flat angles P-C4'-P energy: -41.740
tors. eta vs tors. theta energy: -74.419
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1250.270152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.270152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.670152 (E_RNA)
where:
Base-Base interactions energy: -708.517
where: short stacking energy: -276.657
Base-Backbone interact. energy: -1.430
local terms energy: -338.722466
where:
bonds (distance) C4'-P energy: -62.941
bonds (distance) P-C4' energy: -73.479
flat angles C4'-P-C4' energy: -81.698
flat angles P-C4'-P energy: -50.963
tors. eta vs tors. theta energy: -69.642
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1162.797696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.797696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.997696 (E_RNA)
where:
Base-Base interactions energy: -674.155
where: short stacking energy: -268.616
Base-Backbone interact. energy: -1.875
local terms energy: -286.967206
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -65.907
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1061.293163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.293163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.293163 (E_RNA)
where:
Base-Base interactions energy: -580.562
where: short stacking energy: -233.280
Base-Backbone interact. energy: -4.108
local terms energy: -278.623096
where:
bonds (distance) C4'-P energy: -64.180
bonds (distance) P-C4' energy: -59.469
flat angles C4'-P-C4' energy: -53.766
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -58.864
Dist. restrs. and SS energy: -198.000 (S_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: 383
Temperature: 1.350000
Total energy: -1028.598614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.598614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.998614 (E_RNA)
where:
Base-Base interactions energy: -591.089
where: short stacking energy: -237.610
Base-Backbone interact. energy: -3.144
local terms energy: -250.764863
where:
bonds (distance) C4'-P energy: -55.270
bonds (distance) P-C4' energy: -69.437
flat angles C4'-P-C4' energy: -50.785
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -43.323
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1502.159065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.159065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.959065 (E_RNA)
where:
Base-Base interactions energy: -927.055
where: short stacking energy: -364.821
Base-Backbone interact. energy: -3.400
local terms energy: -366.504617
where:
bonds (distance) C4'-P energy: -68.723
bonds (distance) P-C4' energy: -62.934
flat angles C4'-P-C4' energy: -80.417
flat angles P-C4'-P energy: -52.238
tors. eta vs tors. theta energy: -102.192
Dist. restrs. and SS energy: -205.200 (S_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: 384
Temperature: 0.950000
Total energy: -1421.357573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.357573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.157573 (E_RNA)
where:
Base-Base interactions energy: -853.800
where: short stacking energy: -338.802
Base-Backbone interact. energy: -2.460
local terms energy: -368.898294
where:
bonds (distance) C4'-P energy: -68.377
bonds (distance) P-C4' energy: -75.427
flat angles C4'-P-C4' energy: -79.481
flat angles P-C4'-P energy: -53.426
tors. eta vs tors. theta energy: -92.187
Dist. restrs. and SS energy: -196.200 (S_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: 384
Temperature: 1.000000
Total energy: -1400.401730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.401730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.401730 (E_RNA)
where:
Base-Base interactions energy: -836.457
where: short stacking energy: -353.265
Base-Backbone interact. energy: -0.721
local terms energy: -356.224253
where:
bonds (distance) C4'-P energy: -72.143
bonds (distance) P-C4' energy: -63.907
flat angles C4'-P-C4' energy: -78.946
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -90.673
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1335.710474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.710474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.510474 (E_RNA)
where:
Base-Base interactions energy: -783.857
where: short stacking energy: -307.638
Base-Backbone interact. energy: 5.716
local terms energy: -343.370012
where:
bonds (distance) C4'-P energy: -73.625
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -75.748
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -75.711
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1257.218306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.218306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.818306 (E_RNA)
where:
Base-Base interactions energy: -722.743
where: short stacking energy: -301.446
Base-Backbone interact. energy: 0.016
local terms energy: -322.091688
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -78.181
flat angles P-C4'-P energy: -41.812
tors. eta vs tors. theta energy: -71.255
Dist. restrs. and SS energy: -212.400 (S_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: 384
Temperature: 1.150000
Total energy: -1226.439337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.439337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.839337 (E_RNA)
where:
Base-Base interactions energy: -697.273
where: short stacking energy: -280.754
Base-Backbone interact. energy: 7.618
local terms energy: -326.183694
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -68.831
flat angles C4'-P-C4' energy: -70.787
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -76.914
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1223.529107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.529107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.929107 (E_RNA)
where:
Base-Base interactions energy: -737.023
where: short stacking energy: -288.293
Base-Backbone interact. energy: -0.997
local terms energy: -283.909064
where:
bonds (distance) C4'-P energy: -61.780
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -68.394
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -59.975
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1179.043153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.043153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.243153 (E_RNA)
where:
Base-Base interactions energy: -670.173
where: short stacking energy: -269.120
Base-Backbone interact. energy: 1.540
local terms energy: -310.610331
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -60.491
flat angles C4'-P-C4' energy: -72.633
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -74.050
Dist. restrs. and SS energy: -199.800 (S_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: 384
Temperature: 1.300000
Total energy: -1063.780750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.780750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.980750 (E_RNA)
where:
Base-Base interactions energy: -601.766
where: short stacking energy: -235.700
Base-Backbone interact. energy: -2.158
local terms energy: -269.057207
where:
bonds (distance) C4'-P energy: -58.494
bonds (distance) P-C4' energy: -55.701
flat angles C4'-P-C4' energy: -69.667
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -50.523
Dist. restrs. and SS energy: -190.800 (S_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: 384
Temperature: 1.350000
Total energy: -1010.600411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.600411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.200411 (E_RNA)
where:
Base-Base interactions energy: -575.823
where: short stacking energy: -230.462
Base-Backbone interact. energy: 0.338
local terms energy: -240.714669
where:
bonds (distance) C4'-P energy: -58.260
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -63.359
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -41.183
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1504.640971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.640971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.840971 (E_RNA)
where:
Base-Base interactions energy: -916.956
where: short stacking energy: -344.913
Base-Backbone interact. energy: -2.180
local terms energy: -376.705374
where:
bonds (distance) C4'-P energy: -58.531
bonds (distance) P-C4' energy: -78.575
flat angles C4'-P-C4' energy: -82.475
flat angles P-C4'-P energy: -60.535
tors. eta vs tors. theta energy: -96.588
Dist. restrs. and SS energy: -208.800 (S_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: 385
Temperature: 0.950000
Total energy: -1437.502673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.502673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.702673 (E_RNA)
where:
Base-Base interactions energy: -865.465
where: short stacking energy: -343.525
Base-Backbone interact. energy: -5.875
local terms energy: -366.362210
where:
bonds (distance) C4'-P energy: -70.053
bonds (distance) P-C4' energy: -75.670
flat angles C4'-P-C4' energy: -79.222
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -88.256
Dist. restrs. and SS energy: -199.800 (S_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: 385
Temperature: 1.000000
Total energy: -1362.917365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.917365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.317365 (E_RNA)
where:
Base-Base interactions energy: -794.425
where: short stacking energy: -326.762
Base-Backbone interact. energy: -1.435
local terms energy: -365.457635
where:
bonds (distance) C4'-P energy: -69.369
bonds (distance) P-C4' energy: -73.798
flat angles C4'-P-C4' energy: -85.486
flat angles P-C4'-P energy: -50.505
tors. eta vs tors. theta energy: -86.299
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1318.433021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.433021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.433021 (E_RNA)
where:
Base-Base interactions energy: -790.241
where: short stacking energy: -303.182
Base-Backbone interact. energy: 5.183
local terms energy: -317.374648
where:
bonds (distance) C4'-P energy: -71.382
bonds (distance) P-C4' energy: -54.208
flat angles C4'-P-C4' energy: -68.350
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -74.028
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1252.729103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.729103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.729103 (E_RNA)
where:
Base-Base interactions energy: -714.519
where: short stacking energy: -272.161
Base-Backbone interact. energy: 0.232
local terms energy: -331.441951
where:
bonds (distance) C4'-P energy: -65.413
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -77.596
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -65.709
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1249.589617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.589617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.589617 (E_RNA)
where:
Base-Base interactions energy: -749.586
where: short stacking energy: -312.916
Base-Backbone interact. energy: -1.779
local terms energy: -291.224606
where:
bonds (distance) C4'-P energy: -57.431
bonds (distance) P-C4' energy: -55.882
flat angles C4'-P-C4' energy: -74.106
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -74.060
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1206.418569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.418569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.218569 (E_RNA)
where:
Base-Base interactions energy: -696.693
where: short stacking energy: -266.397
Base-Backbone interact. energy: -0.330
local terms energy: -304.195294
where:
bonds (distance) C4'-P energy: -71.429
bonds (distance) P-C4' energy: -66.505
flat angles C4'-P-C4' energy: -65.844
flat angles P-C4'-P energy: -35.603
tors. eta vs tors. theta energy: -64.814
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1176.272805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.272805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.072805 (E_RNA)
where:
Base-Base interactions energy: -693.039
where: short stacking energy: -273.148
Base-Backbone interact. energy: -0.108
local terms energy: -286.926320
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -78.131
flat angles P-C4'-P energy: -45.115
tors. eta vs tors. theta energy: -59.890
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1057.847245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.847245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.447245 (E_RNA)
where:
Base-Base interactions energy: -614.060
where: short stacking energy: -257.645
Base-Backbone interact. energy: 3.108
local terms energy: -261.494848
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -65.992
flat angles C4'-P-C4' energy: -63.049
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -49.305
Dist. restrs. and SS energy: -185.400 (S_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: 385
Temperature: 1.350000
Total energy: -997.522716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.522716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.122716 (E_RNA)
where:
Base-Base interactions energy: -535.165
where: short stacking energy: -205.558
Base-Backbone interact. energy: -0.536
local terms energy: -267.421790
where:
bonds (distance) C4'-P energy: -58.948
bonds (distance) P-C4' energy: -60.628
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -41.126
tors. eta vs tors. theta energy: -39.202
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1499.463700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.463700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.263700 (E_RNA)
where:
Base-Base interactions energy: -908.838
where: short stacking energy: -370.834
Base-Backbone interact. energy: -1.329
local terms energy: -384.097230
where:
bonds (distance) C4'-P energy: -67.669
bonds (distance) P-C4' energy: -76.426
flat angles C4'-P-C4' energy: -84.123
flat angles P-C4'-P energy: -52.255
tors. eta vs tors. theta energy: -103.625
Dist. restrs. and SS energy: -205.200 (S_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: 386
Temperature: 0.950000
Total energy: -1435.298783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.298783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.098783 (E_RNA)
where:
Base-Base interactions energy: -853.282
where: short stacking energy: -345.141
Base-Backbone interact. energy: -2.503
local terms energy: -383.313681
where:
bonds (distance) C4'-P energy: -65.523
bonds (distance) P-C4' energy: -81.617
flat angles C4'-P-C4' energy: -78.117
flat angles P-C4'-P energy: -61.965
tors. eta vs tors. theta energy: -96.092
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1354.232662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.232662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.632662 (E_RNA)
where:
Base-Base interactions energy: -789.813
where: short stacking energy: -326.092
Base-Backbone interact. energy: 0.340
local terms energy: -363.159783
where:
bonds (distance) C4'-P energy: -73.432
bonds (distance) P-C4' energy: -63.661
flat angles C4'-P-C4' energy: -78.965
flat angles P-C4'-P energy: -52.036
tors. eta vs tors. theta energy: -95.066
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1346.338140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.338140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.938140 (E_RNA)
where:
Base-Base interactions energy: -786.369
where: short stacking energy: -316.120
Base-Backbone interact. energy: -2.733
local terms energy: -344.835860
where:
bonds (distance) C4'-P energy: -63.473
bonds (distance) P-C4' energy: -69.562
flat angles C4'-P-C4' energy: -76.190
flat angles P-C4'-P energy: -50.444
tors. eta vs tors. theta energy: -85.166
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1278.348894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.348894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.748894 (E_RNA)
where:
Base-Base interactions energy: -745.538
where: short stacking energy: -306.906
Base-Backbone interact. energy: -1.403
local terms energy: -320.807969
where:
bonds (distance) C4'-P energy: -64.231
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -72.942
Dist. restrs. and SS energy: -210.600 (S_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: 386
Temperature: 1.150000
Total energy: -1266.049662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.049662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.049662 (E_RNA)
where:
Base-Base interactions energy: -734.507
where: short stacking energy: -307.090
Base-Backbone interact. energy: 6.636
local terms energy: -331.178605
where:
bonds (distance) C4'-P energy: -70.340
bonds (distance) P-C4' energy: -69.380
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -45.333
tors. eta vs tors. theta energy: -79.110
Dist. restrs. and SS energy: -207.000 (S_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: 386
Temperature: 1.200000
Total energy: -1202.955135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.955135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.155135 (E_RNA)
where:
Base-Base interactions energy: -690.355
where: short stacking energy: -285.378
Base-Backbone interact. energy: -4.034
local terms energy: -308.766781
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -67.455
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -73.753
Dist. restrs. and SS energy: -199.800 (S_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: 386
Temperature: 1.250000
Total energy: -1176.903550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.903550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.503550 (E_RNA)
where:
Base-Base interactions energy: -697.635
where: short stacking energy: -284.060
Base-Backbone interact. energy: 1.351
local terms energy: -286.220054
where:
bonds (distance) C4'-P energy: -47.563
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -59.088
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: -78.624
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1024.706757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.706757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.106757 (E_RNA)
where:
Base-Base interactions energy: -559.543
where: short stacking energy: -216.149
Base-Backbone interact. energy: -2.252
local terms energy: -261.312098
where:
bonds (distance) C4'-P energy: -48.137
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -54.931
flat angles P-C4'-P energy: -49.767
tors. eta vs tors. theta energy: -50.760
Dist. restrs. and SS energy: -201.600 (S_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: 386
Temperature: 1.350000
Total energy: -1022.880223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.880223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.480223 (E_RNA)
where:
Base-Base interactions energy: -566.771
where: short stacking energy: -213.322
Base-Backbone interact. energy: 1.788
local terms energy: -272.496983
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -63.671
flat angles P-C4'-P energy: -46.221
tors. eta vs tors. theta energy: -47.287
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1493.398081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.398081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.398081 (E_RNA)
where:
Base-Base interactions energy: -888.808
where: short stacking energy: -345.169
Base-Backbone interact. energy: -1.364
local terms energy: -396.225870
where:
bonds (distance) C4'-P energy: -72.653
bonds (distance) P-C4' energy: -76.709
flat angles C4'-P-C4' energy: -89.731
flat angles P-C4'-P energy: -54.944
tors. eta vs tors. theta energy: -102.189
Dist. restrs. and SS energy: -207.000 (S_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: 387
Temperature: 0.950000
Total energy: -1417.701302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.701302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.301302 (E_RNA)
where:
Base-Base interactions energy: -831.394
where: short stacking energy: -341.492
Base-Backbone interact. energy: -1.490
local terms energy: -381.417706
where:
bonds (distance) C4'-P energy: -78.605
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -74.846
flat angles P-C4'-P energy: -60.519
tors. eta vs tors. theta energy: -95.389
Dist. restrs. and SS energy: -203.400 (S_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: 387
Temperature: 1.000000
Total energy: -1395.833592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.833592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.833592 (E_RNA)
where:
Base-Base interactions energy: -834.982
where: short stacking energy: -339.202
Base-Backbone interact. energy: -2.879
local terms energy: -359.973112
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -75.906
flat angles C4'-P-C4' energy: -77.116
flat angles P-C4'-P energy: -54.200
tors. eta vs tors. theta energy: -97.000
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1352.799715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.799715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.599715 (E_RNA)
where:
Base-Base interactions energy: -818.134
where: short stacking energy: -323.000
Base-Backbone interact. energy: -0.118
local terms energy: -320.347601
where:
bonds (distance) C4'-P energy: -54.085
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -79.652
flat angles P-C4'-P energy: -44.354
tors. eta vs tors. theta energy: -75.443
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1286.334212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.334212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.534212 (E_RNA)
where:
Base-Base interactions energy: -737.511
where: short stacking energy: -298.675
Base-Backbone interact. energy: -2.848
local terms energy: -328.174992
where:
bonds (distance) C4'-P energy: -65.616
bonds (distance) P-C4' energy: -59.713
flat angles C4'-P-C4' energy: -77.615
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -83.116
Dist. restrs. and SS energy: -217.800 (S_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: 387
Temperature: 1.150000
Total energy: -1265.395338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.395338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.195338 (E_RNA)
where:
Base-Base interactions energy: -750.090
where: short stacking energy: -310.048
Base-Backbone interact. energy: 4.518
local terms energy: -314.623219
where:
bonds (distance) C4'-P energy: -65.947
bonds (distance) P-C4' energy: -58.435
flat angles C4'-P-C4' energy: -72.600
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -77.205
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1191.470398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.470398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.070398 (E_RNA)
where:
Base-Base interactions energy: -704.056
where: short stacking energy: -286.638
Base-Backbone interact. energy: 4.505
local terms energy: -297.519445
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -56.745
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -41.675
tors. eta vs tors. theta energy: -67.368
Dist. restrs. and SS energy: -194.400 (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: 387
Temperature: 1.250000
Total energy: -1210.617302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.617302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.417302 (E_RNA)
where:
Base-Base interactions energy: -705.249
where: short stacking energy: -283.235
Base-Backbone interact. energy: -2.415
local terms energy: -297.753768
where:
bonds (distance) C4'-P energy: -62.115
bonds (distance) P-C4' energy: -63.000
flat angles C4'-P-C4' energy: -70.334
flat angles P-C4'-P energy: -34.049
tors. eta vs tors. theta energy: -68.257
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1055.522357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.522357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.922357 (E_RNA)
where:
Base-Base interactions energy: -606.331
where: short stacking energy: -216.444
Base-Backbone interact. energy: 0.422
local terms energy: -248.012634
where:
bonds (distance) C4'-P energy: -50.935
bonds (distance) P-C4' energy: -54.023
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -48.088
Dist. restrs. and SS energy: -201.600 (S_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: 387
Temperature: 1.350000
Total energy: -1063.723409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.723409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.123409 (E_RNA)
where:
Base-Base interactions energy: -627.845
where: short stacking energy: -244.483
Base-Backbone interact. energy: -1.205
local terms energy: -233.073408
where:
bonds (distance) C4'-P energy: -49.082
bonds (distance) P-C4' energy: -45.685
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1506.456260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.456260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.456260 (E_RNA)
where:
Base-Base interactions energy: -908.165
where: short stacking energy: -352.462
Base-Backbone interact. energy: -3.477
local terms energy: -387.814455
where:
bonds (distance) C4'-P energy: -68.681
bonds (distance) P-C4' energy: -76.959
flat angles C4'-P-C4' energy: -82.054
flat angles P-C4'-P energy: -60.192
tors. eta vs tors. theta energy: -99.928
Dist. restrs. and SS energy: -207.000 (S_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: 388
Temperature: 0.950000
Total energy: -1389.766873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.766873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.166873 (E_RNA)
where:
Base-Base interactions energy: -824.322
where: short stacking energy: -338.526
Base-Backbone interact. energy: 1.075
local terms energy: -364.920407
where:
bonds (distance) C4'-P energy: -64.395
bonds (distance) P-C4' energy: -66.304
flat angles C4'-P-C4' energy: -79.561
flat angles P-C4'-P energy: -60.062
tors. eta vs tors. theta energy: -94.598
Dist. restrs. and SS energy: -201.600 (S_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: 388
Temperature: 1.000000
Total energy: -1392.578033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.578033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.978033 (E_RNA)
where:
Base-Base interactions energy: -811.311
where: short stacking energy: -339.088
Base-Backbone interact. energy: -0.265
local terms energy: -379.401372
where:
bonds (distance) C4'-P energy: -74.437
bonds (distance) P-C4' energy: -68.740
flat angles C4'-P-C4' energy: -84.079
flat angles P-C4'-P energy: -49.520
tors. eta vs tors. theta energy: -102.625
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1354.978913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.978913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.778913 (E_RNA)
where:
Base-Base interactions energy: -823.468
where: short stacking energy: -321.765
Base-Backbone interact. energy: -1.944
local terms energy: -315.366641
where:
bonds (distance) C4'-P energy: -61.933
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -70.649
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -77.453
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1281.388880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.388880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.788880 (E_RNA)
where:
Base-Base interactions energy: -742.958
where: short stacking energy: -305.662
Base-Backbone interact. energy: -1.080
local terms energy: -335.750866
where:
bonds (distance) C4'-P energy: -74.224
bonds (distance) P-C4' energy: -72.757
flat angles C4'-P-C4' energy: -75.332
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -74.223
Dist. restrs. and SS energy: -201.600 (S_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: 388
Temperature: 1.150000
Total energy: -1238.981340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.981340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.381340 (E_RNA)
where:
Base-Base interactions energy: -708.798
where: short stacking energy: -275.006
Base-Backbone interact. energy: -1.312
local terms energy: -318.271228
where:
bonds (distance) C4'-P energy: -59.642
bonds (distance) P-C4' energy: -65.582
flat angles C4'-P-C4' energy: -71.757
flat angles P-C4'-P energy: -47.064
tors. eta vs tors. theta energy: -74.227
Dist. restrs. and SS energy: -210.600 (S_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: -1210.625204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.625204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.025204 (E_RNA)
where:
Base-Base interactions energy: -715.141
where: short stacking energy: -274.647
Base-Backbone interact. energy: -2.798
local terms energy: -300.086608
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -60.807
flat angles C4'-P-C4' energy: -70.412
flat angles P-C4'-P energy: -41.263
tors. eta vs tors. theta energy: -68.616
Dist. restrs. and SS energy: -192.600 (S_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: 388
Temperature: 1.250000
Total energy: -1185.920454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.920454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.520454 (E_RNA)
where:
Base-Base interactions energy: -688.947
where: short stacking energy: -274.438
Base-Backbone interact. energy: 0.465
local terms energy: -294.038912
where:
bonds (distance) C4'-P energy: -57.929
bonds (distance) P-C4' energy: -59.995
flat angles C4'-P-C4' energy: -65.383
flat angles P-C4'-P energy: -45.972
tors. eta vs tors. theta energy: -64.760
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1116.556825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.556825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.956825 (E_RNA)
where:
Base-Base interactions energy: -635.303
where: short stacking energy: -249.121
Base-Backbone interact. energy: -1.773
local terms energy: -277.881472
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -65.503
flat angles P-C4'-P energy: -42.068
tors. eta vs tors. theta energy: -56.596
Dist. restrs. and SS energy: -201.600 (S_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: -1055.753836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.753836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.153836 (E_RNA)
where:
Base-Base interactions energy: -605.478
where: short stacking energy: -232.031
Base-Backbone interact. energy: -3.182
local terms energy: -254.494107
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -56.193
flat angles P-C4'-P energy: -49.919
tors. eta vs tors. theta energy: -54.665
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1486.402381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.402381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.402381 (E_RNA)
where:
Base-Base interactions energy: -872.838
where: short stacking energy: -357.283
Base-Backbone interact. energy: -4.456
local terms energy: -402.108769
where:
bonds (distance) C4'-P energy: -71.329
bonds (distance) P-C4' energy: -81.335
flat angles C4'-P-C4' energy: -87.535
flat angles P-C4'-P energy: -56.830
tors. eta vs tors. theta energy: -105.080
Dist. restrs. and SS energy: -207.000 (S_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: 389
Temperature: 0.950000
Total energy: -1428.363051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.363051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.963051 (E_RNA)
where:
Base-Base interactions energy: -856.673
where: short stacking energy: -357.591
Base-Backbone interact. energy: -2.324
local terms energy: -365.965838
where:
bonds (distance) C4'-P energy: -68.037
bonds (distance) P-C4' energy: -69.439
flat angles C4'-P-C4' energy: -90.721
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -84.731
Dist. restrs. and SS energy: -203.400 (S_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: 389
Temperature: 1.000000
Total energy: -1401.630485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.630485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.830485 (E_RNA)
where:
Base-Base interactions energy: -846.757
where: short stacking energy: -349.855
Base-Backbone interact. energy: -2.166
local terms energy: -352.907872
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -74.391
flat angles C4'-P-C4' energy: -63.377
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -96.115
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1358.560620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.560620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.160620 (E_RNA)
where:
Base-Base interactions energy: -806.041
where: short stacking energy: -301.864
Base-Backbone interact. energy: -2.120
local terms energy: -338.000010
where:
bonds (distance) C4'-P energy: -69.358
bonds (distance) P-C4' energy: -74.033
flat angles C4'-P-C4' energy: -71.331
flat angles P-C4'-P energy: -46.883
tors. eta vs tors. theta energy: -76.394
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1282.697428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.697428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.497428 (E_RNA)
where:
Base-Base interactions energy: -731.202
where: short stacking energy: -302.912
Base-Backbone interact. energy: -1.469
local terms energy: -344.825655
where:
bonds (distance) C4'-P energy: -59.611
bonds (distance) P-C4' energy: -77.259
flat angles C4'-P-C4' energy: -71.561
flat angles P-C4'-P energy: -51.753
tors. eta vs tors. theta energy: -84.641
Dist. restrs. and SS energy: -205.200 (S_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: 389
Temperature: 1.150000
Total energy: -1239.766509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.766509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.766509 (E_RNA)
where:
Base-Base interactions energy: -737.976
where: short stacking energy: -306.438
Base-Backbone interact. energy: -2.671
local terms energy: -301.119698
where:
bonds (distance) C4'-P energy: -54.062
bonds (distance) P-C4' energy: -62.169
flat angles C4'-P-C4' energy: -73.580
flat angles P-C4'-P energy: -43.464
tors. eta vs tors. theta energy: -67.844
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1209.601590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.601590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.201590 (E_RNA)
where:
Base-Base interactions energy: -680.721
where: short stacking energy: -266.826
Base-Backbone interact. energy: -1.212
local terms energy: -315.268141
where:
bonds (distance) C4'-P energy: -71.859
bonds (distance) P-C4' energy: -63.938
flat angles C4'-P-C4' energy: -70.138
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -68.220
Dist. restrs. and SS energy: -212.400 (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: 389
Temperature: 1.250000
Total energy: -1180.869241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.869241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.269241 (E_RNA)
where:
Base-Base interactions energy: -679.927
where: short stacking energy: -264.429
Base-Backbone interact. energy: -1.650
local terms energy: -297.692209
where:
bonds (distance) C4'-P energy: -73.881
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -61.692
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -72.794
Dist. restrs. and SS energy: -201.600 (S_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: 389
Temperature: 1.300000
Total energy: -1138.095965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.095965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.495965 (E_RNA)
where:
Base-Base interactions energy: -652.251
where: short stacking energy: -254.228
Base-Backbone interact. energy: 2.344
local terms energy: -286.588928
where:
bonds (distance) C4'-P energy: -57.979
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -67.155
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -64.519
Dist. restrs. and SS energy: -201.600 (S_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: -1004.126044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.126044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.126044 (E_RNA)
where:
Base-Base interactions energy: -564.879
where: short stacking energy: -214.872
Base-Backbone interact. energy: -1.291
local terms energy: -248.955519
where:
bonds (distance) C4'-P energy: -51.299
bonds (distance) P-C4' energy: -50.129
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: -45.961
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1474.621932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.621932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.221932 (E_RNA)
where:
Base-Base interactions energy: -894.375
where: short stacking energy: -362.537
Base-Backbone interact. energy: -2.901
local terms energy: -373.945527
where:
bonds (distance) C4'-P energy: -73.920
bonds (distance) P-C4' energy: -70.844
flat angles C4'-P-C4' energy: -78.983
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -102.081
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1417.721130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.721130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.521130 (E_RNA)
where:
Base-Base interactions energy: -840.557
where: short stacking energy: -363.109
Base-Backbone interact. energy: -0.750
local terms energy: -371.214135
where:
bonds (distance) C4'-P energy: -67.095
bonds (distance) P-C4' energy: -67.202
flat angles C4'-P-C4' energy: -83.152
flat angles P-C4'-P energy: -57.537
tors. eta vs tors. theta energy: -96.228
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1373.755366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.755366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.755366 (E_RNA)
where:
Base-Base interactions energy: -801.827
where: short stacking energy: -302.368
Base-Backbone interact. energy: -2.787
local terms energy: -353.141759
where:
bonds (distance) C4'-P energy: -69.109
bonds (distance) P-C4' energy: -80.027
flat angles C4'-P-C4' energy: -74.789
flat angles P-C4'-P energy: -54.311
tors. eta vs tors. theta energy: -74.906
Dist. restrs. and SS energy: -216.000 (S_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: 390
Temperature: 1.050000
Total energy: -1387.254470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.254470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.454470 (E_RNA)
where:
Base-Base interactions energy: -826.687
where: short stacking energy: -324.860
Base-Backbone interact. energy: -1.443
local terms energy: -359.324725
where:
bonds (distance) C4'-P energy: -74.637
bonds (distance) P-C4' energy: -75.961
flat angles C4'-P-C4' energy: -75.481
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -86.213
Dist. restrs. and SS energy: -199.800 (S_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: 390
Temperature: 1.100000
Total energy: -1288.053577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.053577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.053577 (E_RNA)
where:
Base-Base interactions energy: -757.541
where: short stacking energy: -319.589
Base-Backbone interact. energy: -0.090
local terms energy: -332.421963
where:
bonds (distance) C4'-P energy: -64.121
bonds (distance) P-C4' energy: -54.558
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -50.415
tors. eta vs tors. theta energy: -87.137
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1308.918260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.918260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.518260 (E_RNA)
where:
Base-Base interactions energy: -767.616
where: short stacking energy: -337.709
Base-Backbone interact. energy: -0.276
local terms energy: -337.626351
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -78.026
flat angles C4'-P-C4' energy: -70.409
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -87.460
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1229.105106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.105106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.705106 (E_RNA)
where:
Base-Base interactions energy: -699.906
where: short stacking energy: -281.595
Base-Backbone interact. energy: -1.807
local terms energy: -314.991580
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -75.362
flat angles C4'-P-C4' energy: -57.889
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -76.494
Dist. restrs. and SS energy: -212.400 (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: 390
Temperature: 1.250000
Total energy: -1188.284065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.284065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.084065 (E_RNA)
where:
Base-Base interactions energy: -691.117
where: short stacking energy: -260.172
Base-Backbone interact. energy: -2.358
local terms energy: -298.608352
where:
bonds (distance) C4'-P energy: -56.703
bonds (distance) P-C4' energy: -51.428
flat angles C4'-P-C4' energy: -82.164
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -68.830
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1104.782039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.782039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.782039 (E_RNA)
where:
Base-Base interactions energy: -636.734
where: short stacking energy: -240.291
Base-Backbone interact. energy: 0.974
local terms energy: -271.022001
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -66.752
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -50.785
Dist. restrs. and SS energy: -198.000 (S_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: 390
Temperature: 1.350000
Total energy: -1010.876005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.876005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.876005 (E_RNA)
where:
Base-Base interactions energy: -553.165
where: short stacking energy: -227.776
Base-Backbone interact. energy: 3.038
local terms energy: -280.748510
where:
bonds (distance) C4'-P energy: -65.298
bonds (distance) P-C4' energy: -65.514
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -50.424
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1481.506012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.506012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.306012 (E_RNA)
where:
Base-Base interactions energy: -913.831
where: short stacking energy: -363.151
Base-Backbone interact. energy: -2.640
local terms energy: -359.834913
where:
bonds (distance) C4'-P energy: -58.871
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -84.315
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -94.383
Dist. restrs. and SS energy: -205.200 (S_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: 391
Temperature: 0.950000
Total energy: -1411.395763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.395763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.595763 (E_RNA)
where:
Base-Base interactions energy: -836.312
where: short stacking energy: -340.085
Base-Backbone interact. energy: -2.766
local terms energy: -363.517790
where:
bonds (distance) C4'-P energy: -66.836
bonds (distance) P-C4' energy: -75.026
flat angles C4'-P-C4' energy: -72.308
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -94.747
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1389.665115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.665115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.265115 (E_RNA)
where:
Base-Base interactions energy: -827.687
where: short stacking energy: -325.535
Base-Backbone interact. energy: -2.365
local terms energy: -347.213661
where:
bonds (distance) C4'-P energy: -70.516
bonds (distance) P-C4' energy: -77.344
flat angles C4'-P-C4' energy: -69.765
flat angles P-C4'-P energy: -48.482
tors. eta vs tors. theta energy: -81.106
Dist. restrs. and SS energy: -212.400 (S_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: 391
Temperature: 1.050000
Total energy: -1394.685772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.685772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.285772 (E_RNA)
where:
Base-Base interactions energy: -859.030
where: short stacking energy: -328.816
Base-Backbone interact. energy: -1.674
local terms energy: -339.582394
where:
bonds (distance) C4'-P energy: -62.247
bonds (distance) P-C4' energy: -67.605
flat angles C4'-P-C4' energy: -76.357
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -86.822
Dist. restrs. and SS energy: -194.400 (S_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: 391
Temperature: 1.100000
Total energy: -1308.097879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.097879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.497879 (E_RNA)
where:
Base-Base interactions energy: -775.213
where: short stacking energy: -297.136
Base-Backbone interact. energy: 4.471
local terms energy: -335.755635
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -57.361
flat angles C4'-P-C4' energy: -76.900
flat angles P-C4'-P energy: -55.447
tors. eta vs tors. theta energy: -92.654
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1243.110324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.110324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.510324 (E_RNA)
where:
Base-Base interactions energy: -706.304
where: short stacking energy: -281.786
Base-Backbone interact. energy: -2.205
local terms energy: -324.000865
where:
bonds (distance) C4'-P energy: -60.449
bonds (distance) P-C4' energy: -66.887
flat angles C4'-P-C4' energy: -71.787
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -79.011
Dist. restrs. and SS energy: -210.600 (S_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: 391
Temperature: 1.200000
Total energy: -1257.547764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.547764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.147764 (E_RNA)
where:
Base-Base interactions energy: -725.564
where: short stacking energy: -297.053
Base-Backbone interact. energy: -0.927
local terms energy: -327.657170
where:
bonds (distance) C4'-P energy: -63.324
bonds (distance) P-C4' energy: -66.526
flat angles C4'-P-C4' energy: -72.532
flat angles P-C4'-P energy: -41.226
tors. eta vs tors. theta energy: -84.050
Dist. restrs. and SS energy: -203.400 (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: 391
Temperature: 1.250000
Total energy: -1191.753450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.753450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.553450 (E_RNA)
where:
Base-Base interactions energy: -684.598
where: short stacking energy: -290.116
Base-Backbone interact. energy: -4.327
local terms energy: -306.628089
where:
bonds (distance) C4'-P energy: -62.313
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -66.400
flat angles P-C4'-P energy: -45.372
tors. eta vs tors. theta energy: -68.247
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1133.017353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.017353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.017353 (E_RNA)
where:
Base-Base interactions energy: -635.790
where: short stacking energy: -263.337
Base-Backbone interact. energy: -1.374
local terms energy: -297.853282
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -53.855
flat angles C4'-P-C4' energy: -63.454
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -66.150
Dist. restrs. and SS energy: -198.000 (S_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: 391
Temperature: 1.350000
Total energy: -1023.440483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.440483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.840483 (E_RNA)
where:
Base-Base interactions energy: -577.193
where: short stacking energy: -213.449
Base-Backbone interact. energy: -1.969
local terms energy: -251.679182
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -63.313
flat angles C4'-P-C4' energy: -61.283
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -43.764
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1497.144496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.144496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.144496 (E_RNA)
where:
Base-Base interactions energy: -932.145
where: short stacking energy: -363.804
Base-Backbone interact. energy: 0.477
local terms energy: -358.476202
where:
bonds (distance) C4'-P energy: -70.187
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -76.707
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -94.545
Dist. restrs. and SS energy: -207.000 (S_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: 392
Temperature: 0.950000
Total energy: -1425.850758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.850758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.250758 (E_RNA)
where:
Base-Base interactions energy: -839.723
where: short stacking energy: -351.505
Base-Backbone interact. energy: -4.350
local terms energy: -380.177625
where:
bonds (distance) C4'-P energy: -73.316
bonds (distance) P-C4' energy: -67.373
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -63.736
tors. eta vs tors. theta energy: -96.442
Dist. restrs. and SS energy: -201.600 (S_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: 392
Temperature: 1.000000
Total energy: -1399.739655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.739655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.939655 (E_RNA)
where:
Base-Base interactions energy: -834.686
where: short stacking energy: -331.303
Base-Backbone interact. energy: -3.202
local terms energy: -362.051810
where:
bonds (distance) C4'-P energy: -66.952
bonds (distance) P-C4' energy: -73.491
flat angles C4'-P-C4' energy: -77.757
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -87.280
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1367.240384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.240384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.040384 (E_RNA)
where:
Base-Base interactions energy: -819.222
where: short stacking energy: -321.477
Base-Backbone interact. energy: -2.848
local terms energy: -330.970593
where:
bonds (distance) C4'-P energy: -68.504
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -76.867
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -79.198
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1316.456053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.456053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.256053 (E_RNA)
where:
Base-Base interactions energy: -815.394
where: short stacking energy: -344.009
Base-Backbone interact. energy: 3.075
local terms energy: -316.936468
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -53.970
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -48.344
tors. eta vs tors. theta energy: -91.207
Dist. restrs. and SS energy: -187.200 (S_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: 392
Temperature: 1.150000
Total energy: -1260.961112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.961112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.761112 (E_RNA)
where:
Base-Base interactions energy: -728.968
where: short stacking energy: -296.688
Base-Backbone interact. energy: -0.585
local terms energy: -317.208599
where:
bonds (distance) C4'-P energy: -56.143
bonds (distance) P-C4' energy: -63.366
flat angles C4'-P-C4' energy: -73.787
flat angles P-C4'-P energy: -38.851
tors. eta vs tors. theta energy: -85.061
Dist. restrs. and SS energy: -214.200 (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: 392
Temperature: 1.200000
Total energy: -1204.436072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.436072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.236072 (E_RNA)
where:
Base-Base interactions energy: -685.810
where: short stacking energy: -282.562
Base-Backbone interact. energy: -3.326
local terms energy: -319.099717
where:
bonds (distance) C4'-P energy: -60.739
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -73.870
flat angles P-C4'-P energy: -46.673
tors. eta vs tors. theta energy: -77.688
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1195.976504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.976504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.376504 (E_RNA)
where:
Base-Base interactions energy: -698.962
where: short stacking energy: -294.148
Base-Backbone interact. energy: -1.293
local terms energy: -294.121249
where:
bonds (distance) C4'-P energy: -44.814
bonds (distance) P-C4' energy: -55.504
flat angles C4'-P-C4' energy: -68.256
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -81.313
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1021.679686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.679686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.479686 (E_RNA)
where:
Base-Base interactions energy: -575.876
where: short stacking energy: -232.889
Base-Backbone interact. energy: -0.743
local terms energy: -248.860417
where:
bonds (distance) C4'-P energy: -51.267
bonds (distance) P-C4' energy: -57.631
flat angles C4'-P-C4' energy: -69.340
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: -40.711
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1084.661317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.661317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.661317 (E_RNA)
where:
Base-Base interactions energy: -608.777
where: short stacking energy: -235.063
Base-Backbone interact. energy: 1.854
local terms energy: -279.738432
where:
bonds (distance) C4'-P energy: -54.960
bonds (distance) P-C4' energy: -67.225
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -59.168
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1492.798932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.798932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.998932 (E_RNA)
where:
Base-Base interactions energy: -904.807
where: short stacking energy: -356.121
Base-Backbone interact. energy: -1.211
local terms energy: -377.980680
where:
bonds (distance) C4'-P energy: -72.269
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -86.646
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: -95.362
Dist. restrs. and SS energy: -208.800 (S_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: 393
Temperature: 0.950000
Total energy: -1437.892047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.892047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.092047 (E_RNA)
where:
Base-Base interactions energy: -849.446
where: short stacking energy: -345.317
Base-Backbone interact. energy: -2.790
local terms energy: -376.855753
where:
bonds (distance) C4'-P energy: -73.795
bonds (distance) P-C4' energy: -73.245
flat angles C4'-P-C4' energy: -80.084
flat angles P-C4'-P energy: -53.531
tors. eta vs tors. theta energy: -96.201
Dist. restrs. and SS energy: -208.800 (S_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: 393
Temperature: 1.000000
Total energy: -1394.991725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.991725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.391725 (E_RNA)
where:
Base-Base interactions energy: -842.888
where: short stacking energy: -329.308
Base-Backbone interact. energy: -0.502
local terms energy: -350.001381
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -60.480
flat angles C4'-P-C4' energy: -78.631
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -90.646
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1341.330714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.330714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.530714 (E_RNA)
where:
Base-Base interactions energy: -797.838
where: short stacking energy: -314.451
Base-Backbone interact. energy: 1.859
local terms energy: -336.551032
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -73.097
flat angles C4'-P-C4' energy: -74.744
flat angles P-C4'-P energy: -37.952
tors. eta vs tors. theta energy: -71.555
Dist. restrs. and SS energy: -208.800 (S_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: 393
Temperature: 1.100000
Total energy: -1265.487632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.487632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.087632 (E_RNA)
where:
Base-Base interactions energy: -739.860
where: short stacking energy: -314.542
Base-Backbone interact. energy: -1.920
local terms energy: -329.307656
where:
bonds (distance) C4'-P energy: -60.507
bonds (distance) P-C4' energy: -65.949
flat angles C4'-P-C4' energy: -78.287
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -86.366
Dist. restrs. and SS energy: -194.400 (S_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: -1212.818920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.818920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.218920 (E_RNA)
where:
Base-Base interactions energy: -688.737
where: short stacking energy: -274.313
Base-Backbone interact. energy: -1.743
local terms energy: -320.738234
where:
bonds (distance) C4'-P energy: -64.256
bonds (distance) P-C4' energy: -63.782
flat angles C4'-P-C4' energy: -71.095
flat angles P-C4'-P energy: -42.116
tors. eta vs tors. theta energy: -79.489
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1232.288258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.288258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.288258 (E_RNA)
where:
Base-Base interactions energy: -713.789
where: short stacking energy: -292.991
Base-Backbone interact. energy: -1.891
local terms energy: -309.608158
where:
bonds (distance) C4'-P energy: -52.877
bonds (distance) P-C4' energy: -67.792
flat angles C4'-P-C4' energy: -71.160
flat angles P-C4'-P energy: -50.230
tors. eta vs tors. theta energy: -67.549
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1196.557349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.557349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.557349 (E_RNA)
where:
Base-Base interactions energy: -661.399
where: short stacking energy: -272.486
Base-Backbone interact. energy: 3.276
local terms energy: -331.434153
where:
bonds (distance) C4'-P energy: -68.948
bonds (distance) P-C4' energy: -73.208
flat angles C4'-P-C4' energy: -70.233
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: -74.796
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1085.382745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.382745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.582745 (E_RNA)
where:
Base-Base interactions energy: -624.458
where: short stacking energy: -229.817
Base-Backbone interact. energy: -1.777
local terms energy: -268.348204
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -69.507
flat angles C4'-P-C4' energy: -51.843
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: -57.762
Dist. restrs. and SS energy: -190.800 (S_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: 393
Temperature: 1.350000
Total energy: -1095.628489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.628489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.228489 (E_RNA)
where:
Base-Base interactions energy: -632.183
where: short stacking energy: -249.084
Base-Backbone interact. energy: -0.681
local terms energy: -268.363930
where:
bonds (distance) C4'-P energy: -57.244
bonds (distance) P-C4' energy: -63.000
flat angles C4'-P-C4' energy: -52.115
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -58.835
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1493.493332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.493332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.493332 (E_RNA)
where:
Base-Base interactions energy: -906.112
where: short stacking energy: -362.558
Base-Backbone interact. energy: 1.184
local terms energy: -381.565068
where:
bonds (distance) C4'-P energy: -74.670
bonds (distance) P-C4' energy: -71.186
flat angles C4'-P-C4' energy: -86.994
flat angles P-C4'-P energy: -56.396
tors. eta vs tors. theta energy: -92.319
Dist. restrs. and SS energy: -207.000 (S_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: 394
Temperature: 0.950000
Total energy: -1417.495842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.495842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.295842 (E_RNA)
where:
Base-Base interactions energy: -836.725
where: short stacking energy: -347.695
Base-Backbone interact. energy: 1.741
local terms energy: -377.312454
where:
bonds (distance) C4'-P energy: -66.385
bonds (distance) P-C4' energy: -83.901
flat angles C4'-P-C4' energy: -78.672
flat angles P-C4'-P energy: -58.909
tors. eta vs tors. theta energy: -89.445
Dist. restrs. and SS energy: -205.200 (S_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: 394
Temperature: 1.000000
Total energy: -1399.756422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.756422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.356422 (E_RNA)
where:
Base-Base interactions energy: -828.722
where: short stacking energy: -321.966
Base-Backbone interact. energy: -2.726
local terms energy: -364.908598
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -77.877
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -57.167
tors. eta vs tors. theta energy: -90.162
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1343.689809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.689809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.889809 (E_RNA)
where:
Base-Base interactions energy: -798.351
where: short stacking energy: -311.759
Base-Backbone interact. energy: -1.448
local terms energy: -326.091372
where:
bonds (distance) C4'-P energy: -66.878
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -68.887
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -74.916
Dist. restrs. and SS energy: -217.800 (S_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: 394
Temperature: 1.100000
Total energy: -1278.545680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.545680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.745680 (E_RNA)
where:
Base-Base interactions energy: -754.694
where: short stacking energy: -291.162
Base-Backbone interact. energy: 4.388
local terms energy: -328.439698
where:
bonds (distance) C4'-P energy: -57.100
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -65.286
flat angles P-C4'-P energy: -47.265
tors. eta vs tors. theta energy: -91.719
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1266.720044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.720044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.520044 (E_RNA)
where:
Base-Base interactions energy: -724.166
where: short stacking energy: -294.654
Base-Backbone interact. energy: -0.016
local terms energy: -328.337452
where:
bonds (distance) C4'-P energy: -60.229
bonds (distance) P-C4' energy: -62.812
flat angles C4'-P-C4' energy: -73.277
flat angles P-C4'-P energy: -51.230
tors. eta vs tors. theta energy: -80.790
Dist. restrs. and SS energy: -214.200 (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: 394
Temperature: 1.200000
Total energy: -1245.053278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.053278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.053278 (E_RNA)
where:
Base-Base interactions energy: -725.690
where: short stacking energy: -299.364
Base-Backbone interact. energy: 2.616
local terms energy: -314.978917
where:
bonds (distance) C4'-P energy: -65.932
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -68.462
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -86.026
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1199.792494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.792494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.992494 (E_RNA)
where:
Base-Base interactions energy: -696.235
where: short stacking energy: -274.600
Base-Backbone interact. energy: -1.834
local terms energy: -292.923476
where:
bonds (distance) C4'-P energy: -56.799
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -69.367
flat angles P-C4'-P energy: -43.857
tors. eta vs tors. theta energy: -64.879
Dist. restrs. and SS energy: -208.800 (S_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: 394
Temperature: 1.300000
Total energy: -1098.242342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.242342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.842342 (E_RNA)
where:
Base-Base interactions energy: -648.241
where: short stacking energy: -238.420
Base-Backbone interact. energy: -2.234
local terms energy: -253.367569
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -32.745
tors. eta vs tors. theta energy: -52.504
Dist. restrs. and SS energy: -194.400 (S_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: -1025.370578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.370578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.770578 (E_RNA)
where:
Base-Base interactions energy: -584.066
where: short stacking energy: -228.768
Base-Backbone interact. energy: 5.184
local terms energy: -253.889087
where:
bonds (distance) C4'-P energy: -57.203
bonds (distance) P-C4' energy: -52.061
flat angles C4'-P-C4' energy: -52.989
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -48.745
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1483.610380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.610380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.810380 (E_RNA)
where:
Base-Base interactions energy: -888.104
where: short stacking energy: -355.887
Base-Backbone interact. energy: -3.415
local terms energy: -383.291883
where:
bonds (distance) C4'-P energy: -71.013
bonds (distance) P-C4' energy: -74.750
flat angles C4'-P-C4' energy: -84.946
flat angles P-C4'-P energy: -54.712
tors. eta vs tors. theta energy: -97.871
Dist. restrs. and SS energy: -208.800 (S_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: 395
Temperature: 0.950000
Total energy: -1438.485849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.485849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.085849 (E_RNA)
where:
Base-Base interactions energy: -847.813
where: short stacking energy: -348.326
Base-Backbone interact. energy: -3.291
local terms energy: -383.981962
where:
bonds (distance) C4'-P energy: -73.640
bonds (distance) P-C4' energy: -69.814
flat angles C4'-P-C4' energy: -82.422
flat angles P-C4'-P energy: -56.923
tors. eta vs tors. theta energy: -101.183
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1387.019275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.019275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.219275 (E_RNA)
where:
Base-Base interactions energy: -821.298
where: short stacking energy: -349.591
Base-Backbone interact. energy: 2.191
local terms energy: -359.112563
where:
bonds (distance) C4'-P energy: -69.106
bonds (distance) P-C4' energy: -66.721
flat angles C4'-P-C4' energy: -74.723
flat angles P-C4'-P energy: -56.618
tors. eta vs tors. theta energy: -91.944
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1356.115969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.115969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.315969 (E_RNA)
where:
Base-Base interactions energy: -817.661
where: short stacking energy: -321.656
Base-Backbone interact. energy: -0.482
local terms energy: -320.172932
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -52.636
flat angles C4'-P-C4' energy: -73.821
flat angles P-C4'-P energy: -51.766
tors. eta vs tors. theta energy: -77.936
Dist. restrs. and SS energy: -217.800 (S_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: 395
Temperature: 1.100000
Total energy: -1278.306455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.306455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.506455 (E_RNA)
where:
Base-Base interactions energy: -742.727
where: short stacking energy: -314.440
Base-Backbone interact. energy: 4.504
local terms energy: -340.283294
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -62.799
flat angles C4'-P-C4' energy: -78.946
flat angles P-C4'-P energy: -49.451
tors. eta vs tors. theta energy: -82.885
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1284.595208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.595208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.595208 (E_RNA)
where:
Base-Base interactions energy: -726.537
where: short stacking energy: -305.236
Base-Backbone interact. energy: -2.654
local terms energy: -348.404193
where:
bonds (distance) C4'-P energy: -69.303
bonds (distance) P-C4' energy: -59.420
flat angles C4'-P-C4' energy: -82.178
flat angles P-C4'-P energy: -45.264
tors. eta vs tors. theta energy: -92.239
Dist. restrs. and SS energy: -207.000 (S_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: 395
Temperature: 1.200000
Total energy: -1220.617595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.617595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.617595 (E_RNA)
where:
Base-Base interactions energy: -719.003
where: short stacking energy: -283.596
Base-Backbone interact. energy: -1.012
local terms energy: -284.602638
where:
bonds (distance) C4'-P energy: -59.667
bonds (distance) P-C4' energy: -62.249
flat angles C4'-P-C4' energy: -69.263
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -73.802
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1202.065713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.065713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.065713 (E_RNA)
where:
Base-Base interactions energy: -691.638
where: short stacking energy: -290.976
Base-Backbone interact. energy: -1.737
local terms energy: -301.689844
where:
bonds (distance) C4'-P energy: -53.886
bonds (distance) P-C4' energy: -71.012
flat angles C4'-P-C4' energy: -57.795
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -73.595
Dist. restrs. and SS energy: -207.000 (S_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: 395
Temperature: 1.300000
Total energy: -1104.298446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.298446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.098446 (E_RNA)
where:
Base-Base interactions energy: -644.414
where: short stacking energy: -259.743
Base-Backbone interact. energy: -1.302
local terms energy: -271.382816
where:
bonds (distance) C4'-P energy: -49.511
bonds (distance) P-C4' energy: -76.121
flat angles C4'-P-C4' energy: -67.008
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -49.039
Dist. restrs. and SS energy: -187.200 (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: 395
Temperature: 1.350000
Total energy: -1052.708280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.708280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.308280 (E_RNA)
where:
Base-Base interactions energy: -580.599
where: short stacking energy: -213.016
Base-Backbone interact. energy: 2.481
local terms energy: -280.190582
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -60.538
flat angles C4'-P-C4' energy: -63.586
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -52.804
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1450.489118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.489118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.489118 (E_RNA)
where:
Base-Base interactions energy: -870.228
where: short stacking energy: -357.010
Base-Backbone interact. energy: -1.220
local terms energy: -372.040706
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -74.525
flat angles C4'-P-C4' energy: -79.661
flat angles P-C4'-P energy: -56.989
tors. eta vs tors. theta energy: -97.471
Dist. restrs. and SS energy: -207.000 (S_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: 396
Temperature: 0.950000
Total energy: -1447.309402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.309402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.709402 (E_RNA)
where:
Base-Base interactions energy: -882.220
where: short stacking energy: -354.573
Base-Backbone interact. energy: -0.696
local terms energy: -362.794061
where:
bonds (distance) C4'-P energy: -70.403
bonds (distance) P-C4' energy: -73.890
flat angles C4'-P-C4' energy: -74.973
flat angles P-C4'-P energy: -45.372
tors. eta vs tors. theta energy: -98.156
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1385.117232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.117232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.517232 (E_RNA)
where:
Base-Base interactions energy: -819.935
where: short stacking energy: -349.855
Base-Backbone interact. energy: -0.818
local terms energy: -362.764655
where:
bonds (distance) C4'-P energy: -61.642
bonds (distance) P-C4' energy: -76.793
flat angles C4'-P-C4' energy: -71.201
flat angles P-C4'-P energy: -57.973
tors. eta vs tors. theta energy: -95.155
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1356.506663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.506663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.106663 (E_RNA)
where:
Base-Base interactions energy: -802.226
where: short stacking energy: -317.827
Base-Backbone interact. energy: -1.795
local terms energy: -340.084894
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -69.777
flat angles C4'-P-C4' energy: -75.453
flat angles P-C4'-P energy: -49.430
tors. eta vs tors. theta energy: -78.674
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1316.398773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.398773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.198773 (E_RNA)
where:
Base-Base interactions energy: -754.555
where: short stacking energy: -326.793
Base-Backbone interact. energy: -1.558
local terms energy: -355.086488
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -74.460
flat angles C4'-P-C4' energy: -70.834
flat angles P-C4'-P energy: -53.875
tors. eta vs tors. theta energy: -99.725
Dist. restrs. and SS energy: -205.200 (S_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: 396
Temperature: 1.150000
Total energy: -1249.468333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.468333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.668333 (E_RNA)
where:
Base-Base interactions energy: -736.777
where: short stacking energy: -291.023
Base-Backbone interact. energy: -1.471
local terms energy: -311.419942
where:
bonds (distance) C4'-P energy: -61.836
bonds (distance) P-C4' energy: -67.165
flat angles C4'-P-C4' energy: -65.301
flat angles P-C4'-P energy: -43.201
tors. eta vs tors. theta energy: -73.916
Dist. restrs. and SS energy: -199.800 (S_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: 396
Temperature: 1.200000
Total energy: -1230.661904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.661904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.261904 (E_RNA)
where:
Base-Base interactions energy: -697.851
where: short stacking energy: -288.104
Base-Backbone interact. energy: 0.455
local terms energy: -320.866249
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -60.488
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -45.430
tors. eta vs tors. theta energy: -84.654
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1169.482277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.482277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.282277 (E_RNA)
where:
Base-Base interactions energy: -663.794
where: short stacking energy: -257.191
Base-Backbone interact. energy: -1.247
local terms energy: -290.241005
where:
bonds (distance) C4'-P energy: -67.996
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -70.524
flat angles P-C4'-P energy: -44.437
tors. eta vs tors. theta energy: -60.693
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1084.348231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.348231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.748231 (E_RNA)
where:
Base-Base interactions energy: -604.994
where: short stacking energy: -224.155
Base-Backbone interact. energy: -1.013
local terms energy: -276.741337
where:
bonds (distance) C4'-P energy: -59.412
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -63.152
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: -201.600 (S_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: -1054.294528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.294528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.894528 (E_RNA)
where:
Base-Base interactions energy: -612.566
where: short stacking energy: -246.110
Base-Backbone interact. energy: 7.023
local terms energy: -254.351075
where:
bonds (distance) C4'-P energy: -60.282
bonds (distance) P-C4' energy: -63.433
flat angles C4'-P-C4' energy: -59.870
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -46.695
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1480.813132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.813132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.613132 (E_RNA)
where:
Base-Base interactions energy: -902.204
where: short stacking energy: -341.324
Base-Backbone interact. energy: 1.287
local terms energy: -374.696275
where:
bonds (distance) C4'-P energy: -78.541
bonds (distance) P-C4' energy: -75.032
flat angles C4'-P-C4' energy: -76.129
flat angles P-C4'-P energy: -56.187
tors. eta vs tors. theta energy: -88.808
Dist. restrs. and SS energy: -205.200 (S_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: 397
Temperature: 0.950000
Total energy: -1461.986930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.986930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.386930 (E_RNA)
where:
Base-Base interactions energy: -876.124
where: short stacking energy: -356.254
Base-Backbone interact. energy: -3.333
local terms energy: -380.929608
where:
bonds (distance) C4'-P energy: -74.308
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -57.601
tors. eta vs tors. theta energy: -101.031
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1380.603590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.603590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.403590 (E_RNA)
where:
Base-Base interactions energy: -814.935
where: short stacking energy: -342.565
Base-Backbone interact. energy: -3.476
local terms energy: -356.992606
where:
bonds (distance) C4'-P energy: -78.404
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: -94.315
Dist. restrs. and SS energy: -205.200 (S_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: 397
Temperature: 1.050000
Total energy: -1325.665938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.665938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.465938 (E_RNA)
where:
Base-Base interactions energy: -783.569
where: short stacking energy: -336.432
Base-Backbone interact. energy: 3.032
local terms energy: -339.928091
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -78.959
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -89.064
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1307.609249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.609249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.409249 (E_RNA)
where:
Base-Base interactions energy: -776.341
where: short stacking energy: -318.270
Base-Backbone interact. energy: -3.764
local terms energy: -313.304968
where:
bonds (distance) C4'-P energy: -54.554
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -65.140
flat angles P-C4'-P energy: -50.417
tors. eta vs tors. theta energy: -71.552
Dist. restrs. and SS energy: -214.200 (S_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: 397
Temperature: 1.150000
Total energy: -1272.541632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.541632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.941632 (E_RNA)
where:
Base-Base interactions energy: -741.685
where: short stacking energy: -285.087
Base-Backbone interact. energy: -0.316
local terms energy: -328.939905
where:
bonds (distance) C4'-P energy: -65.534
bonds (distance) P-C4' energy: -71.159
flat angles C4'-P-C4' energy: -68.964
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -78.890
Dist. restrs. and SS energy: -201.600 (S_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: 397
Temperature: 1.200000
Total energy: -1241.750528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.750528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.550528 (E_RNA)
where:
Base-Base interactions energy: -715.684
where: short stacking energy: -300.885
Base-Backbone interact. energy: 6.870
local terms energy: -327.736394
where:
bonds (distance) C4'-P energy: -74.328
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -71.311
flat angles P-C4'-P energy: -50.937
tors. eta vs tors. theta energy: -75.938
Dist. restrs. and SS energy: -205.200 (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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1145.598569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.598569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.998569 (E_RNA)
where:
Base-Base interactions energy: -658.342
where: short stacking energy: -265.668
Base-Backbone interact. energy: -0.045
local terms energy: -294.612156
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -69.049
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -66.884
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1149.004472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.004472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.404472 (E_RNA)
where:
Base-Base interactions energy: -650.937
where: short stacking energy: -256.469
Base-Backbone interact. energy: 0.466
local terms energy: -287.934051
where:
bonds (distance) C4'-P energy: -54.880
bonds (distance) P-C4' energy: -57.172
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -64.154
Dist. restrs. and SS energy: -210.600 (S_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: -1059.872715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.872715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.072715 (E_RNA)
where:
Base-Base interactions energy: -613.269
where: short stacking energy: -235.814
Base-Backbone interact. energy: 5.984
local terms energy: -252.787723
where:
bonds (distance) C4'-P energy: -53.554
bonds (distance) P-C4' energy: -56.757
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -51.388
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1500.083130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.083130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.083130 (E_RNA)
where:
Base-Base interactions energy: -925.096
where: short stacking energy: -345.731
Base-Backbone interact. energy: 0.037
local terms energy: -368.024050
where:
bonds (distance) C4'-P energy: -71.422
bonds (distance) P-C4' energy: -70.637
flat angles C4'-P-C4' energy: -77.946
flat angles P-C4'-P energy: -45.147
tors. eta vs tors. theta energy: -102.872
Dist. restrs. and SS energy: -207.000 (S_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: 398
Temperature: 0.950000
Total energy: -1422.214248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.214248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.614248 (E_RNA)
where:
Base-Base interactions energy: -853.438
where: short stacking energy: -350.118
Base-Backbone interact. energy: -4.508
local terms energy: -362.668040
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -80.021
flat angles P-C4'-P energy: -57.568
tors. eta vs tors. theta energy: -96.861
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1383.914962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.914962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.314962 (E_RNA)
where:
Base-Base interactions energy: -817.468
where: short stacking energy: -344.668
Base-Backbone interact. energy: 1.154
local terms energy: -366.000208
where:
bonds (distance) C4'-P energy: -79.591
bonds (distance) P-C4' energy: -70.872
flat angles C4'-P-C4' energy: -73.959
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -94.453
Dist. restrs. and SS energy: -201.600 (S_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: 398
Temperature: 1.050000
Total energy: -1333.785827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.785827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.785827 (E_RNA)
where:
Base-Base interactions energy: -770.972
where: short stacking energy: -319.552
Base-Backbone interact. energy: -1.794
local terms energy: -354.019794
where:
bonds (distance) C4'-P energy: -64.263
bonds (distance) P-C4' energy: -69.147
flat angles C4'-P-C4' energy: -77.659
flat angles P-C4'-P energy: -51.623
tors. eta vs tors. theta energy: -91.328
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1324.469451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.469451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.469451 (E_RNA)
where:
Base-Base interactions energy: -804.602
where: short stacking energy: -319.610
Base-Backbone interact. energy: 1.648
local terms energy: -314.514811
where:
bonds (distance) C4'-P energy: -69.234
bonds (distance) P-C4' energy: -57.843
flat angles C4'-P-C4' energy: -71.823
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -72.132
Dist. restrs. and SS energy: -207.000 (S_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: 398
Temperature: 1.150000
Total energy: -1246.899891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.899891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.899891 (E_RNA)
where:
Base-Base interactions energy: -721.745
where: short stacking energy: -276.746
Base-Backbone interact. energy: -5.965
local terms energy: -321.189691
where:
bonds (distance) C4'-P energy: -49.032
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -70.015
flat angles P-C4'-P energy: -52.237
tors. eta vs tors. theta energy: -79.806
Dist. restrs. and SS energy: -198.000 (S_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: 398
Temperature: 1.200000
Total energy: -1230.130966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.130966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.530966 (E_RNA)
where:
Base-Base interactions energy: -719.888
where: short stacking energy: -285.200
Base-Backbone interact. energy: 7.949
local terms energy: -307.591700
where:
bonds (distance) C4'-P energy: -61.590
bonds (distance) P-C4' energy: -59.476
flat angles C4'-P-C4' energy: -67.336
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: -76.588
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1124.429268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.429268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.229268 (E_RNA)
where:
Base-Base interactions energy: -652.007
where: short stacking energy: -258.251
Base-Backbone interact. energy: 1.097
local terms energy: -277.318651
where:
bonds (distance) C4'-P energy: -47.063
bonds (distance) P-C4' energy: -57.687
flat angles C4'-P-C4' energy: -74.604
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -58.778
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1090.702877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.702877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.102877 (E_RNA)
where:
Base-Base interactions energy: -624.241
where: short stacking energy: -237.422
Base-Backbone interact. energy: 3.736
local terms energy: -268.598168
where:
bonds (distance) C4'-P energy: -49.293
bonds (distance) P-C4' energy: -72.652
flat angles C4'-P-C4' energy: -68.547
flat angles P-C4'-P energy: -32.707
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1117.753903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.753903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.953903 (E_RNA)
where:
Base-Base interactions energy: -621.008
where: short stacking energy: -237.827
Base-Backbone interact. energy: -0.762
local terms energy: -278.183884
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -73.724
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -33.557
tors. eta vs tors. theta energy: -57.160
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1494.171350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.171350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.971350 (E_RNA)
where:
Base-Base interactions energy: -915.394
where: short stacking energy: -368.949
Base-Backbone interact. energy: -2.528
local terms energy: -371.049761
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -67.414
flat angles C4'-P-C4' energy: -76.954
flat angles P-C4'-P energy: -47.684
tors. eta vs tors. theta energy: -105.556
Dist. restrs. and SS energy: -205.200 (S_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: 399
Temperature: 0.950000
Total energy: -1431.544313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.544313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.544313 (E_RNA)
where:
Base-Base interactions energy: -855.604
where: short stacking energy: -369.134
Base-Backbone interact. energy: -0.516
local terms energy: -377.423799
where:
bonds (distance) C4'-P energy: -64.426
bonds (distance) P-C4' energy: -74.684
flat angles C4'-P-C4' energy: -80.082
flat angles P-C4'-P energy: -59.989
tors. eta vs tors. theta energy: -98.243
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1384.996928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.996928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.796928 (E_RNA)
where:
Base-Base interactions energy: -819.477
where: short stacking energy: -343.957
Base-Backbone interact. energy: 0.402
local terms energy: -360.722149
where:
bonds (distance) C4'-P energy: -71.534
bonds (distance) P-C4' energy: -69.830
flat angles C4'-P-C4' energy: -74.113
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -99.631
Dist. restrs. and SS energy: -205.200 (S_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: -1338.059477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.059477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.059477 (E_RNA)
where:
Base-Base interactions energy: -791.004
where: short stacking energy: -331.068
Base-Backbone interact. energy: -1.604
local terms energy: -347.451017
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -68.476
flat angles C4'-P-C4' energy: -82.467
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -93.998
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1324.397092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.397092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.197092 (E_RNA)
where:
Base-Base interactions energy: -774.282
where: short stacking energy: -299.917
Base-Backbone interact. energy: -1.030
local terms energy: -334.884786
where:
bonds (distance) C4'-P energy: -69.033
bonds (distance) P-C4' energy: -68.806
flat angles C4'-P-C4' energy: -66.259
flat angles P-C4'-P energy: -56.004
tors. eta vs tors. theta energy: -74.782
Dist. restrs. and SS energy: -214.200 (S_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: 399
Temperature: 1.150000
Total energy: -1271.655949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.655949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.655949 (E_RNA)
where:
Base-Base interactions energy: -726.503
where: short stacking energy: -296.297
Base-Backbone interact. energy: 1.649
local terms energy: -330.801900
where:
bonds (distance) C4'-P energy: -52.206
bonds (distance) P-C4' energy: -69.028
flat angles C4'-P-C4' energy: -76.459
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -87.417
Dist. restrs. and SS energy: -216.000 (S_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: 399
Temperature: 1.200000
Total energy: -1195.019547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.019547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.019547 (E_RNA)
where:
Base-Base interactions energy: -698.691
where: short stacking energy: -269.015
Base-Backbone interact. energy: 6.636
local terms energy: -304.964545
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -61.162
flat angles C4'-P-C4' energy: -64.342
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -71.459
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1128.437516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.437516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.637516 (E_RNA)
where:
Base-Base interactions energy: -652.047
where: short stacking energy: -258.617
Base-Backbone interact. energy: -1.532
local terms energy: -275.058379
where:
bonds (distance) C4'-P energy: -56.494
bonds (distance) P-C4' energy: -53.862
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -66.675
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1066.370415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.370415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.370415 (E_RNA)
where:
Base-Base interactions energy: -604.546
where: short stacking energy: -217.097
Base-Backbone interact. energy: 1.121
local terms energy: -264.945140
where:
bonds (distance) C4'-P energy: -54.762
bonds (distance) P-C4' energy: -64.734
flat angles C4'-P-C4' energy: -63.286
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -40.536
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1098.247286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.247286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.047286 (E_RNA)
where:
Base-Base interactions energy: -630.334
where: short stacking energy: -246.557
Base-Backbone interact. energy: -1.722
local terms energy: -251.991540
where:
bonds (distance) C4'-P energy: -60.472
bonds (distance) P-C4' energy: -44.754
flat angles C4'-P-C4' energy: -54.822
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -54.611
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1474.248799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.248799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.248799 (E_RNA)
where:
Base-Base interactions energy: -883.693
where: short stacking energy: -350.530
Base-Backbone interact. energy: -2.419
local terms energy: -381.136982
where:
bonds (distance) C4'-P energy: -79.626
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -79.298
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -97.819
Dist. restrs. and SS energy: -207.000 (S_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: 400
Temperature: 0.950000
Total energy: -1429.810870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.810870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.210870 (E_RNA)
where:
Base-Base interactions energy: -840.617
where: short stacking energy: -336.810
Base-Backbone interact. energy: -3.058
local terms energy: -384.536084
where:
bonds (distance) C4'-P energy: -81.841
bonds (distance) P-C4' energy: -74.372
flat angles C4'-P-C4' energy: -72.022
flat angles P-C4'-P energy: -61.216
tors. eta vs tors. theta energy: -95.085
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1404.689457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.689457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.489457 (E_RNA)
where:
Base-Base interactions energy: -846.962
where: short stacking energy: -358.917
Base-Backbone interact. energy: -1.035
local terms energy: -351.492363
where:
bonds (distance) C4'-P energy: -65.828
bonds (distance) P-C4' energy: -64.089
flat angles C4'-P-C4' energy: -77.897
flat angles P-C4'-P energy: -45.314
tors. eta vs tors. theta energy: -98.363
Dist. restrs. and SS energy: -205.200 (S_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: -1339.158149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.158149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.958149 (E_RNA)
where:
Base-Base interactions energy: -778.040
where: short stacking energy: -321.788
Base-Backbone interact. energy: -2.118
local terms energy: -353.799813
where:
bonds (distance) C4'-P energy: -71.694
bonds (distance) P-C4' energy: -64.073
flat angles C4'-P-C4' energy: -84.032
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: -86.180
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1347.409230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.409230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.209230 (E_RNA)
where:
Base-Base interactions energy: -808.349
where: short stacking energy: -305.146
Base-Backbone interact. energy: -1.009
local terms energy: -323.850983
where:
bonds (distance) C4'-P energy: -66.629
bonds (distance) P-C4' energy: -58.738
flat angles C4'-P-C4' energy: -77.017
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -74.972
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1281.725763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.725763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.725763 (E_RNA)
where:
Base-Base interactions energy: -728.752
where: short stacking energy: -287.922
Base-Backbone interact. energy: -0.545
local terms energy: -345.428546
where:
bonds (distance) C4'-P energy: -68.154
bonds (distance) P-C4' energy: -76.710
flat angles C4'-P-C4' energy: -63.380
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -87.875
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1223.555572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.555572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.155572 (E_RNA)
where:
Base-Base interactions energy: -709.523
where: short stacking energy: -299.361
Base-Backbone interact. energy: -3.625
local terms energy: -316.008424
where:
bonds (distance) C4'-P energy: -59.845
bonds (distance) P-C4' energy: -57.623
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -49.286
tors. eta vs tors. theta energy: -83.229
Dist. restrs. and SS energy: -194.400 (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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1154.704757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.704757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.304757 (E_RNA)
where:
Base-Base interactions energy: -659.613
where: short stacking energy: -264.551
Base-Backbone interact. energy: -0.117
local terms energy: -300.575000
where:
bonds (distance) C4'-P energy: -54.195
bonds (distance) P-C4' energy: -72.464
flat angles C4'-P-C4' energy: -62.422
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -62.281
Dist. restrs. and SS energy: -194.400 (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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1182.776814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.776814 (E_RNA)
where:
Base-Base interactions energy: -665.878
where: short stacking energy: -256.250
Base-Backbone interact. energy: 1.327
local terms energy: -302.226044
where:
bonds (distance) C4'-P energy: -56.780
bonds (distance) P-C4' energy: -71.413
flat angles C4'-P-C4' energy: -63.699
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -62.862
Dist. restrs. and SS energy: -216.000 (S_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: 400
Temperature: 1.350000
Total energy: -1075.569442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.569442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.769442 (E_RNA)
where:
Base-Base interactions energy: -622.432
where: short stacking energy: -237.495
Base-Backbone interact. energy: 1.675
local terms energy: -255.011658
where:
bonds (distance) C4'-P energy: -56.307
bonds (distance) P-C4' energy: -65.798
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -45.670
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1450.297727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.297727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.097727 (E_RNA)
where:
Base-Base interactions energy: -878.936
where: short stacking energy: -356.256
Base-Backbone interact. energy: 3.917
local terms energy: -370.079019
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -70.265
flat angles C4'-P-C4' energy: -79.197
flat angles P-C4'-P energy: -55.730
tors. eta vs tors. theta energy: -92.176
Dist. restrs. and SS energy: -205.200 (S_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: 401
Temperature: 0.950000
Total energy: -1421.986213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.986213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.786213 (E_RNA)
where:
Base-Base interactions energy: -850.493
where: short stacking energy: -356.758
Base-Backbone interact. energy: -2.907
local terms energy: -363.386421
where:
bonds (distance) C4'-P energy: -64.313
bonds (distance) P-C4' energy: -66.126
flat angles C4'-P-C4' energy: -81.744
flat angles P-C4'-P energy: -50.539
tors. eta vs tors. theta energy: -100.665
Dist. restrs. and SS energy: -205.200 (S_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: 401
Temperature: 1.000000
Total energy: -1374.966711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.966711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.166711 (E_RNA)
where:
Base-Base interactions energy: -799.471
where: short stacking energy: -332.389
Base-Backbone interact. energy: -1.147
local terms energy: -374.548850
where:
bonds (distance) C4'-P energy: -72.645
bonds (distance) P-C4' energy: -75.248
flat angles C4'-P-C4' energy: -82.205
flat angles P-C4'-P energy: -52.362
tors. eta vs tors. theta energy: -92.090
Dist. restrs. and SS energy: -199.800 (S_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: 401
Temperature: 1.050000
Total energy: -1344.047700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.047700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.247700 (E_RNA)
where:
Base-Base interactions energy: -798.991
where: short stacking energy: -330.035
Base-Backbone interact. energy: -1.128
local terms energy: -335.128889
where:
bonds (distance) C4'-P energy: -57.749
bonds (distance) P-C4' energy: -61.803
flat angles C4'-P-C4' energy: -77.741
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: -88.984
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1354.428896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.428896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.828896 (E_RNA)
where:
Base-Base interactions energy: -827.292
where: short stacking energy: -315.967
Base-Backbone interact. energy: 1.432
local terms energy: -317.968703
where:
bonds (distance) C4'-P energy: -65.888
bonds (distance) P-C4' energy: -64.681
flat angles C4'-P-C4' energy: -69.458
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -72.064
Dist. restrs. and SS energy: -210.600 (S_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: 401
Temperature: 1.150000
Total energy: -1257.479500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.479500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.479500 (E_RNA)
where:
Base-Base interactions energy: -726.567
where: short stacking energy: -297.775
Base-Backbone interact. energy: 2.301
local terms energy: -317.213825
where:
bonds (distance) C4'-P energy: -72.670
bonds (distance) P-C4' energy: -64.411
flat angles C4'-P-C4' energy: -68.764
flat angles P-C4'-P energy: -38.721
tors. eta vs tors. theta energy: -72.648
Dist. restrs. and SS energy: -216.000 (S_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: 401
Temperature: 1.200000
Total energy: -1224.845821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.845821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.045821 (E_RNA)
where:
Base-Base interactions energy: -709.320
where: short stacking energy: -278.330
Base-Backbone interact. energy: -1.967
local terms energy: -322.758550
where:
bonds (distance) C4'-P energy: -55.415
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -82.525
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -70.648
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1142.670219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.670219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.470219 (E_RNA)
where:
Base-Base interactions energy: -623.454
where: short stacking energy: -238.848
Base-Backbone interact. energy: -0.167
local terms energy: -304.849479
where:
bonds (distance) C4'-P energy: -66.010
bonds (distance) P-C4' energy: -72.757
flat angles C4'-P-C4' energy: -62.896
flat angles P-C4'-P energy: -48.079
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1109.479962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.479962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.479962 (E_RNA)
where:
Base-Base interactions energy: -612.879
where: short stacking energy: -249.037
Base-Backbone interact. energy: -0.917
local terms energy: -297.684028
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -60.495
flat angles C4'-P-C4' energy: -66.196
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -58.337
Dist. restrs. and SS energy: -198.000 (S_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: 401
Temperature: 1.350000
Total energy: -1035.755088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.755088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.755088 (E_RNA)
where:
Base-Base interactions energy: -609.607
where: short stacking energy: -243.937
Base-Backbone interact. energy: -2.455
local terms energy: -234.692605
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -54.097
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -53.398
Dist. restrs. and SS energy: -189.000 (S_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: 402
Temperature: 0.900000
Total energy: -1431.614790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.614790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.614790 (E_RNA)
where:
Base-Base interactions energy: -856.366
where: short stacking energy: -352.829
Base-Backbone interact. energy: -0.952
local terms energy: -367.296604
where:
bonds (distance) C4'-P energy: -70.092
bonds (distance) P-C4' energy: -73.567
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -54.599
tors. eta vs tors. theta energy: -95.363
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1430.213477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.213477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.213477 (E_RNA)
where:
Base-Base interactions energy: -873.803
where: short stacking energy: -353.987
Base-Backbone interact. energy: 0.469
local terms energy: -349.879160
where:
bonds (distance) C4'-P energy: -75.492
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -67.553
flat angles P-C4'-P energy: -49.363
tors. eta vs tors. theta energy: -93.354
Dist. restrs. and SS energy: -207.000 (S_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: 402
Temperature: 1.000000
Total energy: -1378.749290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.749290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.949290 (E_RNA)
where:
Base-Base interactions energy: -828.179
where: short stacking energy: -336.502
Base-Backbone interact. energy: -1.970
local terms energy: -348.800695
where:
bonds (distance) C4'-P energy: -58.884
bonds (distance) P-C4' energy: -78.366
flat angles C4'-P-C4' energy: -72.587
flat angles P-C4'-P energy: -43.549
tors. eta vs tors. theta energy: -95.414
Dist. restrs. and SS energy: -199.800 (S_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: 402
Temperature: 1.050000
Total energy: -1380.040580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.040580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.640580 (E_RNA)
where:
Base-Base interactions energy: -834.737
where: short stacking energy: -329.240
Base-Backbone interact. energy: -1.912
local terms energy: -339.991439
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -67.343
flat angles C4'-P-C4' energy: -75.543
flat angles P-C4'-P energy: -57.216
tors. eta vs tors. theta energy: -81.656
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1336.985086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.985086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.385086 (E_RNA)
where:
Base-Base interactions energy: -811.973
where: short stacking energy: -310.820
Base-Backbone interact. energy: -2.339
local terms energy: -312.073742
where:
bonds (distance) C4'-P energy: -57.202
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -74.033
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -69.611
Dist. restrs. and SS energy: -210.600 (S_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: 402
Temperature: 1.150000
Total energy: -1269.715375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.715375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.715375 (E_RNA)
where:
Base-Base interactions energy: -733.884
where: short stacking energy: -304.359
Base-Backbone interact. energy: -3.180
local terms energy: -316.651847
where:
bonds (distance) C4'-P energy: -71.350
bonds (distance) P-C4' energy: -49.813
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -79.552
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1208.244622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.244622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.644622 (E_RNA)
where:
Base-Base interactions energy: -684.578
where: short stacking energy: -278.122
Base-Backbone interact. energy: -3.452
local terms energy: -309.613997
where:
bonds (distance) C4'-P energy: -65.658
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -70.532
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -69.862
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1191.304080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.304080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.704080 (E_RNA)
where:
Base-Base interactions energy: -683.303
where: short stacking energy: -272.764
Base-Backbone interact. energy: -2.060
local terms energy: -304.341102
where:
bonds (distance) C4'-P energy: -55.454
bonds (distance) P-C4' energy: -58.998
flat angles C4'-P-C4' energy: -72.824
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: -71.045
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1080.985959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.985959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.185959 (E_RNA)
where:
Base-Base interactions energy: -594.016
where: short stacking energy: -230.249
Base-Backbone interact. energy: 0.369
local terms energy: -296.538887
where:
bonds (distance) C4'-P energy: -62.065
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -55.205
Dist. restrs. and SS energy: -190.800 (S_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: 402
Temperature: 1.350000
Total energy: -1056.175853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.175853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.975853 (E_RNA)
where:
Base-Base interactions energy: -611.930
where: short stacking energy: -232.628
Base-Backbone interact. energy: 0.035
local terms energy: -248.080708
where:
bonds (distance) C4'-P energy: -50.788
bonds (distance) P-C4' energy: -57.847
flat angles C4'-P-C4' energy: -61.904
flat angles P-C4'-P energy: -36.359
tors. eta vs tors. theta energy: -41.183
Dist. restrs. and SS energy: -196.200 (S_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: 403
Temperature: 0.900000
Total energy: -1445.958615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.958615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.758615 (E_RNA)
where:
Base-Base interactions energy: -855.685
where: short stacking energy: -354.463
Base-Backbone interact. energy: -3.660
local terms energy: -381.413189
where:
bonds (distance) C4'-P energy: -71.907
bonds (distance) P-C4' energy: -72.294
flat angles C4'-P-C4' energy: -79.867
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -98.438
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1413.764008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.764008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.964008 (E_RNA)
where:
Base-Base interactions energy: -848.069
where: short stacking energy: -346.410
Base-Backbone interact. energy: 5.981
local terms energy: -362.876011
where:
bonds (distance) C4'-P energy: -64.331
bonds (distance) P-C4' energy: -70.015
flat angles C4'-P-C4' energy: -76.712
flat angles P-C4'-P energy: -59.404
tors. eta vs tors. theta energy: -92.415
Dist. restrs. and SS energy: -208.800 (S_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: 403
Temperature: 1.000000
Total energy: -1386.250227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.250227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.450227 (E_RNA)
where:
Base-Base interactions energy: -830.347
where: short stacking energy: -337.890
Base-Backbone interact. energy: -2.065
local terms energy: -354.038756
where:
bonds (distance) C4'-P energy: -69.733
bonds (distance) P-C4' energy: -63.200
flat angles C4'-P-C4' energy: -78.000
flat angles P-C4'-P energy: -50.194
tors. eta vs tors. theta energy: -92.912
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1357.468058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.468058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.068058 (E_RNA)
where:
Base-Base interactions energy: -812.620
where: short stacking energy: -317.282
Base-Backbone interact. energy: -3.267
local terms energy: -329.180323
where:
bonds (distance) C4'-P energy: -65.397
bonds (distance) P-C4' energy: -59.684
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -53.056
tors. eta vs tors. theta energy: -74.126
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. 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: -1322.923536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.923536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.723536 (E_RNA)
where:
Base-Base interactions energy: -800.460
where: short stacking energy: -325.902
Base-Backbone interact. energy: -1.157
local terms energy: -316.106501
where:
bonds (distance) C4'-P energy: -47.787
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -84.046
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -80.675
Dist. restrs. and SS energy: -205.200 (S_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: 403
Temperature: 1.150000
Total energy: -1222.634229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.634229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.234229 (E_RNA)
where:
Base-Base interactions energy: -689.001
where: short stacking energy: -276.083
Base-Backbone interact. energy: 0.100
local terms energy: -312.333090
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -47.610
flat angles C4'-P-C4' energy: -77.196
flat angles P-C4'-P energy: -45.425
tors. eta vs tors. theta energy: -73.990
Dist. restrs. and SS energy: -221.400 (S_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: 403
Temperature: 1.200000
Total energy: -1196.841235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.841235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.441235 (E_RNA)
where:
Base-Base interactions energy: -688.559
where: short stacking energy: -265.933
Base-Backbone interact. energy: 5.345
local terms energy: -301.227032
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -68.234
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -76.337
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1215.236820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.236820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.436820 (E_RNA)
where:
Base-Base interactions energy: -705.247
where: short stacking energy: -305.794
Base-Backbone interact. energy: -1.042
local terms energy: -309.147531
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -66.404
flat angles C4'-P-C4' energy: -69.487
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -82.874
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1082.654045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.654045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.454045 (E_RNA)
where:
Base-Base interactions energy: -600.492
where: short stacking energy: -244.259
Base-Backbone interact. energy: 0.116
local terms energy: -286.078210
where:
bonds (distance) C4'-P energy: -56.700
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -72.670
flat angles P-C4'-P energy: -42.826
tors. eta vs tors. theta energy: -54.319
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1072.243185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.243185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.443185 (E_RNA)
where:
Base-Base interactions energy: -619.994
where: short stacking energy: -240.112
Base-Backbone interact. energy: -1.366
local terms energy: -251.083670
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -66.420
flat angles C4'-P-C4' energy: -57.388
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -54.198
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1433.749854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.749854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.349854 (E_RNA)
where:
Base-Base interactions energy: -870.406
where: short stacking energy: -369.772
Base-Backbone interact. energy: -2.483
local terms energy: -357.461019
where:
bonds (distance) C4'-P energy: -69.221
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -78.279
flat angles P-C4'-P energy: -48.842
tors. eta vs tors. theta energy: -93.182
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1427.097175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.097175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.897175 (E_RNA)
where:
Base-Base interactions energy: -853.007
where: short stacking energy: -365.673
Base-Backbone interact. energy: -2.162
local terms energy: -366.728401
where:
bonds (distance) C4'-P energy: -69.600
bonds (distance) P-C4' energy: -67.170
flat angles C4'-P-C4' energy: -79.345
flat angles P-C4'-P energy: -53.784
tors. eta vs tors. theta energy: -96.829
Dist. restrs. and SS energy: -205.200 (S_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: 404
Temperature: 1.000000
Total energy: -1395.866914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.866914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.066914 (E_RNA)
where:
Base-Base interactions energy: -821.445
where: short stacking energy: -331.500
Base-Backbone interact. energy: -1.637
local terms energy: -372.985108
where:
bonds (distance) C4'-P energy: -73.575
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -73.338
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: -95.959
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1361.586627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.586627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.386627 (E_RNA)
where:
Base-Base interactions energy: -844.491
where: short stacking energy: -312.389
Base-Backbone interact. energy: -0.042
local terms energy: -302.853574
where:
bonds (distance) C4'-P energy: -50.461
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -83.041
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -73.030
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1320.417583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.417583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.217583 (E_RNA)
where:
Base-Base interactions energy: -766.047
where: short stacking energy: -303.130
Base-Backbone interact. energy: -0.664
local terms energy: -348.506750
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -74.978
flat angles C4'-P-C4' energy: -73.672
flat angles P-C4'-P energy: -51.161
tors. eta vs tors. theta energy: -82.583
Dist. restrs. and SS energy: -205.200 (S_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: 404
Temperature: 1.150000
Total energy: -1231.946458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.946458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.146458 (E_RNA)
where:
Base-Base interactions energy: -685.066
where: short stacking energy: -274.240
Base-Backbone interact. energy: 1.710
local terms energy: -330.790048
where:
bonds (distance) C4'-P energy: -66.567
bonds (distance) P-C4' energy: -72.070
flat angles C4'-P-C4' energy: -58.593
flat angles P-C4'-P energy: -57.232
tors. eta vs tors. theta energy: -76.328
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1211.544221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.544221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.944221 (E_RNA)
where:
Base-Base interactions energy: -704.047
where: short stacking energy: -288.695
Base-Backbone interact. energy: -0.829
local terms energy: -305.068593
where:
bonds (distance) C4'-P energy: -37.847
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -68.165
flat angles P-C4'-P energy: -61.807
tors. eta vs tors. theta energy: -80.746
Dist. restrs. and SS energy: -201.600 (S_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: 404
Temperature: 1.250000
Total energy: -1156.592918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.592918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.592918 (E_RNA)
where:
Base-Base interactions energy: -674.201
where: short stacking energy: -269.551
Base-Backbone interact. energy: -0.856
local terms energy: -274.536210
where:
bonds (distance) C4'-P energy: -56.362
bonds (distance) P-C4' energy: -61.112
flat angles C4'-P-C4' energy: -62.380
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: -60.428
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1094.265962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.265962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.665962 (E_RNA)
where:
Base-Base interactions energy: -623.676
where: short stacking energy: -242.406
Base-Backbone interact. energy: 4.555
local terms energy: -273.544525
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -61.375
flat angles C4'-P-C4' energy: -66.653
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -53.115
Dist. restrs. and SS energy: -201.600 (S_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: 404
Temperature: 1.350000
Total energy: -1070.375671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.375671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.175671 (E_RNA)
where:
Base-Base interactions energy: -602.313
where: short stacking energy: -217.027
Base-Backbone interact. energy: 1.995
local terms energy: -282.857336
where:
bonds (distance) C4'-P energy: -69.463
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -51.694
tors. eta vs tors. theta energy: -44.095
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1457.707743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.707743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.907743 (E_RNA)
where:
Base-Base interactions energy: -873.076
where: short stacking energy: -358.071
Base-Backbone interact. energy: -3.407
local terms energy: -372.425251
where:
bonds (distance) C4'-P energy: -68.569
bonds (distance) P-C4' energy: -73.873
flat angles C4'-P-C4' energy: -77.493
flat angles P-C4'-P energy: -55.159
tors. eta vs tors. theta energy: -97.332
Dist. restrs. and SS energy: -208.800 (S_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: 405
Temperature: 0.950000
Total energy: -1406.948873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.948873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.348873 (E_RNA)
where:
Base-Base interactions energy: -844.863
where: short stacking energy: -350.635
Base-Backbone interact. energy: 6.119
local terms energy: -366.605272
where:
bonds (distance) C4'-P energy: -67.063
bonds (distance) P-C4' energy: -71.115
flat angles C4'-P-C4' energy: -81.438
flat angles P-C4'-P energy: -50.059
tors. eta vs tors. theta energy: -96.930
Dist. restrs. and SS energy: -201.600 (S_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: 405
Temperature: 1.000000
Total energy: -1413.269554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.269554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.469554 (E_RNA)
where:
Base-Base interactions energy: -834.121
where: short stacking energy: -316.946
Base-Backbone interact. energy: -3.156
local terms energy: -376.192418
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -77.559
flat angles C4'-P-C4' energy: -81.199
flat angles P-C4'-P energy: -49.741
tors. eta vs tors. theta energy: -95.046
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1351.856569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.856569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.256569 (E_RNA)
where:
Base-Base interactions energy: -820.253
where: short stacking energy: -295.050
Base-Backbone interact. energy: 0.029
local terms energy: -321.033090
where:
bonds (distance) C4'-P energy: -61.659
bonds (distance) P-C4' energy: -68.772
flat angles C4'-P-C4' energy: -66.402
flat angles P-C4'-P energy: -55.927
tors. eta vs tors. theta energy: -68.272
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1324.215894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.215894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.415894 (E_RNA)
where:
Base-Base interactions energy: -775.973
where: short stacking energy: -308.270
Base-Backbone interact. energy: -3.223
local terms energy: -336.219730
where:
bonds (distance) C4'-P energy: -59.493
bonds (distance) P-C4' energy: -64.630
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -55.878
tors. eta vs tors. theta energy: -81.745
Dist. restrs. and SS energy: -208.800 (S_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: 405
Temperature: 1.150000
Total energy: -1239.477999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.477999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.877999 (E_RNA)
where:
Base-Base interactions energy: -705.317
where: short stacking energy: -299.255
Base-Backbone interact. energy: 0.901
local terms energy: -315.461967
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -67.271
flat angles C4'-P-C4' energy: -67.477
flat angles P-C4'-P energy: -47.778
tors. eta vs tors. theta energy: -74.756
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1220.365449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.365449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.565449 (E_RNA)
where:
Base-Base interactions energy: -715.566
where: short stacking energy: -294.303
Base-Backbone interact. energy: 0.767
local terms energy: -305.765849
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -67.295
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: -77.008
Dist. restrs. and SS energy: -199.800 (S_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: 405
Temperature: 1.250000
Total energy: -1181.651925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.651925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.451925 (E_RNA)
where:
Base-Base interactions energy: -677.122
where: short stacking energy: -277.262
Base-Backbone interact. energy: -0.388
local terms energy: -298.942875
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -55.894
flat angles C4'-P-C4' energy: -71.176
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -71.541
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1062.706558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.706558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.106558 (E_RNA)
where:
Base-Base interactions energy: -579.146
where: short stacking energy: -232.393
Base-Backbone interact. energy: 1.800
local terms energy: -283.760497
where:
bonds (distance) C4'-P energy: -55.257
bonds (distance) P-C4' energy: -75.537
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -39.611
tors. eta vs tors. theta energy: -54.266
Dist. restrs. and SS energy: -201.600 (S_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: 405
Temperature: 1.350000
Total energy: -1076.456272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.456272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.856272 (E_RNA)
where:
Base-Base interactions energy: -628.211
where: short stacking energy: -239.196
Base-Backbone interact. energy: 8.991
local terms energy: -264.636211
where:
bonds (distance) C4'-P energy: -52.402
bonds (distance) P-C4' energy: -69.940
flat angles C4'-P-C4' energy: -67.242
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: -44.976
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1449.167793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.167793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.967793 (E_RNA)
where:
Base-Base interactions energy: -868.043
where: short stacking energy: -373.428
Base-Backbone interact. energy: -0.136
local terms energy: -375.788628
where:
bonds (distance) C4'-P energy: -56.860
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -85.036
flat angles P-C4'-P energy: -56.656
tors. eta vs tors. theta energy: -102.910
Dist. restrs. and SS energy: -205.200 (S_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: 406
Temperature: 0.950000
Total energy: -1429.368917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.368917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.168917 (E_RNA)
where:
Base-Base interactions energy: -838.548
where: short stacking energy: -348.404
Base-Backbone interact. energy: 0.916
local terms energy: -386.536193
where:
bonds (distance) C4'-P energy: -72.322
bonds (distance) P-C4' energy: -79.007
flat angles C4'-P-C4' energy: -78.828
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -100.610
Dist. restrs. and SS energy: -205.200 (S_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: 406
Temperature: 1.000000
Total energy: -1398.158845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.158845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.758845 (E_RNA)
where:
Base-Base interactions energy: -843.969
where: short stacking energy: -318.803
Base-Backbone interact. energy: -3.560
local terms energy: -356.230183
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -74.425
flat angles C4'-P-C4' energy: -79.892
flat angles P-C4'-P energy: -46.900
tors. eta vs tors. theta energy: -82.367
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1366.884622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.884622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.884622 (E_RNA)
where:
Base-Base interactions energy: -824.384
where: short stacking energy: -312.256
Base-Backbone interact. energy: 1.507
local terms energy: -337.007894
where:
bonds (distance) C4'-P energy: -71.736
bonds (distance) P-C4' energy: -64.419
flat angles C4'-P-C4' energy: -71.765
flat angles P-C4'-P energy: -53.097
tors. eta vs tors. theta energy: -75.990
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1311.962021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.962021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.362021 (E_RNA)
where:
Base-Base interactions energy: -777.472
where: short stacking energy: -318.966
Base-Backbone interact. energy: 0.800
local terms energy: -333.689349
where:
bonds (distance) C4'-P energy: -58.885
bonds (distance) P-C4' energy: -67.183
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -53.719
tors. eta vs tors. theta energy: -81.815
Dist. restrs. and SS energy: -201.600 (S_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: 406
Temperature: 1.150000
Total energy: -1232.235644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.235644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.635644 (E_RNA)
where:
Base-Base interactions energy: -693.902
where: short stacking energy: -282.314
Base-Backbone interact. energy: -2.747
local terms energy: -315.986770
where:
bonds (distance) C4'-P energy: -60.871
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -69.505
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -75.800
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1220.976514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.976514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.176514 (E_RNA)
where:
Base-Base interactions energy: -700.732
where: short stacking energy: -280.989
Base-Backbone interact. energy: 0.703
local terms energy: -321.146938
where:
bonds (distance) C4'-P energy: -67.064
bonds (distance) P-C4' energy: -65.422
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -72.181
Dist. restrs. and SS energy: -199.800 (S_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: 406
Temperature: 1.250000
Total energy: -1159.133262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.133262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.133262 (E_RNA)
where:
Base-Base interactions energy: -665.280
where: short stacking energy: -265.767
Base-Backbone interact. energy: -1.476
local terms energy: -294.376928
where:
bonds (distance) C4'-P energy: -60.442
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -70.129
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1068.707848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.707848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.707848 (E_RNA)
where:
Base-Base interactions energy: -606.255
where: short stacking energy: -229.194
Base-Backbone interact. energy: 2.734
local terms energy: -267.187124
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -48.174
flat angles C4'-P-C4' energy: -66.039
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -51.678
Dist. restrs. and SS energy: -198.000 (S_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: 406
Temperature: 1.350000
Total energy: -1077.951887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.951887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.551887 (E_RNA)
where:
Base-Base interactions energy: -619.605
where: short stacking energy: -251.319
Base-Backbone interact. energy: -1.569
local terms energy: -262.377465
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -67.082
flat angles C4'-P-C4' energy: -63.358
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -42.138
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1454.389255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.389255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.389255 (E_RNA)
where:
Base-Base interactions energy: -881.749
where: short stacking energy: -362.528
Base-Backbone interact. energy: -0.405
local terms energy: -365.234887
where:
bonds (distance) C4'-P energy: -69.351
bonds (distance) P-C4' energy: -66.320
flat angles C4'-P-C4' energy: -79.461
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -101.041
Dist. restrs. and SS energy: -207.000 (S_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: 407
Temperature: 0.950000
Total energy: -1413.120784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.120784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.320784 (E_RNA)
where:
Base-Base interactions energy: -855.113
where: short stacking energy: -351.630
Base-Backbone interact. energy: -3.987
local terms energy: -354.221360
where:
bonds (distance) C4'-P energy: -58.189
bonds (distance) P-C4' energy: -71.172
flat angles C4'-P-C4' energy: -72.765
flat angles P-C4'-P energy: -60.822
tors. eta vs tors. theta energy: -91.274
Dist. restrs. and SS energy: -199.800 (S_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: 407
Temperature: 1.000000
Total energy: -1393.277784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.277784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.077784 (E_RNA)
where:
Base-Base interactions energy: -813.444
where: short stacking energy: -339.654
Base-Backbone interact. energy: -0.719
local terms energy: -373.914597
where:
bonds (distance) C4'-P energy: -70.178
bonds (distance) P-C4' energy: -70.641
flat angles C4'-P-C4' energy: -77.171
flat angles P-C4'-P energy: -58.516
tors. eta vs tors. theta energy: -97.408
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1359.818327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.818327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.018327 (E_RNA)
where:
Base-Base interactions energy: -818.944
where: short stacking energy: -318.101
Base-Backbone interact. energy: 3.944
local terms energy: -327.018109
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -70.664
flat angles C4'-P-C4' energy: -67.580
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -69.688
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. 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: -1335.614479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.614479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.414479 (E_RNA)
where:
Base-Base interactions energy: -814.612
where: short stacking energy: -314.672
Base-Backbone interact. energy: -3.105
local terms energy: -312.698375
where:
bonds (distance) C4'-P energy: -60.269
bonds (distance) P-C4' energy: -56.733
flat angles C4'-P-C4' energy: -70.049
flat angles P-C4'-P energy: -52.697
tors. eta vs tors. theta energy: -72.951
Dist. restrs. and SS energy: -205.200 (S_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: 407
Temperature: 1.150000
Total energy: -1239.619692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.619692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.019692 (E_RNA)
where:
Base-Base interactions energy: -734.042
where: short stacking energy: -307.022
Base-Backbone interact. energy: -1.854
local terms energy: -302.123934
where:
bonds (distance) C4'-P energy: -52.124
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -69.308
flat angles P-C4'-P energy: -42.488
tors. eta vs tors. theta energy: -75.970
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1210.352588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.352588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.552588 (E_RNA)
where:
Base-Base interactions energy: -679.739
where: short stacking energy: -252.786
Base-Backbone interact. energy: 0.255
local terms energy: -313.068496
where:
bonds (distance) C4'-P energy: -66.260
bonds (distance) P-C4' energy: -72.201
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -44.757
tors. eta vs tors. theta energy: -60.730
Dist. restrs. and SS energy: -217.800 (S_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: 407
Temperature: 1.250000
Total energy: -1134.955993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.955993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.555993 (E_RNA)
where:
Base-Base interactions energy: -626.805
where: short stacking energy: -234.707
Base-Backbone interact. energy: -2.545
local terms energy: -302.205964
where:
bonds (distance) C4'-P energy: -67.031
bonds (distance) P-C4' energy: -57.063
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -64.290
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1051.246948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.246948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.646948 (E_RNA)
where:
Base-Base interactions energy: -575.394
where: short stacking energy: -214.033
Base-Backbone interact. energy: -0.842
local terms energy: -282.411190
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -66.103
flat angles C4'-P-C4' energy: -60.730
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: -54.677
Dist. restrs. and SS energy: -192.600 (S_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: 407
Temperature: 1.350000
Total energy: -1128.256850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.256850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.856850 (E_RNA)
where:
Base-Base interactions energy: -655.817
where: short stacking energy: -260.572
Base-Backbone interact. energy: -1.730
local terms energy: -276.309584
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -64.907
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -64.103
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1493.521445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.521445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.521445 (E_RNA)
where:
Base-Base interactions energy: -899.124
where: short stacking energy: -363.463
Base-Backbone interact. energy: -1.862
local terms energy: -385.535175
where:
bonds (distance) C4'-P energy: -66.437
bonds (distance) P-C4' energy: -76.150
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -57.243
tors. eta vs tors. theta energy: -104.416
Dist. restrs. and SS energy: -207.000 (S_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: 408
Temperature: 0.950000
Total energy: -1402.025815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.025815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.625815 (E_RNA)
where:
Base-Base interactions energy: -839.587
where: short stacking energy: -331.376
Base-Backbone interact. energy: -1.971
local terms energy: -366.068104
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -74.596
flat angles C4'-P-C4' energy: -78.671
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -85.720
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1374.365805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.365805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.565805 (E_RNA)
where:
Base-Base interactions energy: -810.802
where: short stacking energy: -331.490
Base-Backbone interact. energy: 2.388
local terms energy: -357.152076
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -78.403
flat angles C4'-P-C4' energy: -73.070
flat angles P-C4'-P energy: -61.063
tors. eta vs tors. theta energy: -90.082
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1353.643589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.643589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.443589 (E_RNA)
where:
Base-Base interactions energy: -806.182
where: short stacking energy: -297.706
Base-Backbone interact. energy: 0.791
local terms energy: -334.052459
where:
bonds (distance) C4'-P energy: -70.819
bonds (distance) P-C4' energy: -73.432
flat angles C4'-P-C4' energy: -65.619
flat angles P-C4'-P energy: -52.494
tors. eta vs tors. theta energy: -71.689
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1353.577868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.577868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.377868 (E_RNA)
where:
Base-Base interactions energy: -815.622
where: short stacking energy: -317.213
Base-Backbone interact. energy: -2.209
local terms energy: -330.546887
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -60.676
flat angles C4'-P-C4' energy: -72.721
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -81.158
Dist. restrs. and SS energy: -205.200 (S_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: 408
Temperature: 1.150000
Total energy: -1245.447348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.447348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.447348 (E_RNA)
where:
Base-Base interactions energy: -750.692
where: short stacking energy: -288.595
Base-Backbone interact. energy: -0.051
local terms energy: -296.704728
where:
bonds (distance) C4'-P energy: -51.445
bonds (distance) P-C4' energy: -58.777
flat angles C4'-P-C4' energy: -72.166
flat angles P-C4'-P energy: -41.991
tors. eta vs tors. theta energy: -72.325
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1191.848220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.848220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.248220 (E_RNA)
where:
Base-Base interactions energy: -669.431
where: short stacking energy: -280.334
Base-Backbone interact. energy: -0.704
local terms energy: -302.113254
where:
bonds (distance) C4'-P energy: -61.146
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -69.547
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -67.526
Dist. restrs. and SS energy: -219.600 (S_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: 408
Temperature: 1.250000
Total energy: -1150.550127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.550127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.750127 (E_RNA)
where:
Base-Base interactions energy: -662.328
where: short stacking energy: -242.642
Base-Backbone interact. energy: 0.718
local terms energy: -280.139781
where:
bonds (distance) C4'-P energy: -64.590
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -68.312
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -46.125
Dist. restrs. and SS energy: -208.800 (S_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: 408
Temperature: 1.300000
Total energy: -1161.619116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.619116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.019116 (E_RNA)
where:
Base-Base interactions energy: -662.520
where: short stacking energy: -257.777
Base-Backbone interact. energy: -1.803
local terms energy: -304.695984
where:
bonds (distance) C4'-P energy: -66.316
bonds (distance) P-C4' energy: -64.914
flat angles C4'-P-C4' energy: -68.014
flat angles P-C4'-P energy: -46.324
tors. eta vs tors. theta energy: -59.128
Dist. restrs. and SS energy: -192.600 (S_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: -1015.953697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.953697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.153697 (E_RNA)
where:
Base-Base interactions energy: -607.262
where: short stacking energy: -217.897
Base-Backbone interact. energy: 6.190
local terms energy: -233.082007
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -53.833
flat angles P-C4'-P energy: -44.592
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1487.114977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.114977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.314977 (E_RNA)
where:
Base-Base interactions energy: -895.326
where: short stacking energy: -354.741
Base-Backbone interact. energy: -2.372
local terms energy: -380.616473
where:
bonds (distance) C4'-P energy: -72.806
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -82.953
flat angles P-C4'-P energy: -49.827
tors. eta vs tors. theta energy: -97.602
Dist. restrs. and SS energy: -208.800 (S_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: 409
Temperature: 0.950000
Total energy: -1395.815090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.815090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.615090 (E_RNA)
where:
Base-Base interactions energy: -833.617
where: short stacking energy: -322.835
Base-Backbone interact. energy: 4.856
local terms energy: -361.854049
where:
bonds (distance) C4'-P energy: -57.586
bonds (distance) P-C4' energy: -72.985
flat angles C4'-P-C4' energy: -78.233
flat angles P-C4'-P energy: -51.643
tors. eta vs tors. theta energy: -101.408
Dist. restrs. and SS energy: -205.200 (S_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: 409
Temperature: 1.000000
Total energy: -1386.733398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.733398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.333398 (E_RNA)
where:
Base-Base interactions energy: -836.647
where: short stacking energy: -335.534
Base-Backbone interact. energy: -2.242
local terms energy: -344.443897
where:
bonds (distance) C4'-P energy: -68.044
bonds (distance) P-C4' energy: -73.225
flat angles C4'-P-C4' energy: -80.280
flat angles P-C4'-P energy: -39.405
tors. eta vs tors. theta energy: -83.490
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1355.439395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.439395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.639395 (E_RNA)
where:
Base-Base interactions energy: -826.563
where: short stacking energy: -314.423
Base-Backbone interact. energy: 5.704
local terms energy: -325.779726
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -76.536
flat angles C4'-P-C4' energy: -77.285
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -72.226
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1305.011219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.011219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.011219 (E_RNA)
where:
Base-Base interactions energy: -793.285
where: short stacking energy: -319.273
Base-Backbone interact. energy: 1.284
local terms energy: -306.009908
where:
bonds (distance) C4'-P energy: -53.931
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -76.878
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -75.559
Dist. restrs. and SS energy: -207.000 (S_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: -1212.261796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.261796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.461796 (E_RNA)
where:
Base-Base interactions energy: -709.803
where: short stacking energy: -277.698
Base-Backbone interact. energy: 1.657
local terms energy: -304.315720
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -64.797
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -51.088
tors. eta vs tors. theta energy: -71.077
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1208.465998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.465998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.065998 (E_RNA)
where:
Base-Base interactions energy: -683.108
where: short stacking energy: -258.970
Base-Backbone interact. energy: -2.951
local terms energy: -301.006916
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -70.628
flat angles C4'-P-C4' energy: -70.053
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -65.705
Dist. restrs. and SS energy: -221.400 (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: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1182.051581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.051581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.051581 (E_RNA)
where:
Base-Base interactions energy: -672.507
where: short stacking energy: -250.281
Base-Backbone interact. energy: -2.591
local terms energy: -308.953522
where:
bonds (distance) C4'-P energy: -79.877
bonds (distance) P-C4' energy: -61.231
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -58.371
Dist. restrs. and SS energy: -198.000 (S_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: 409
Temperature: 1.300000
Total energy: -1152.535229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.535229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.735229 (E_RNA)
where:
Base-Base interactions energy: -668.103
where: short stacking energy: -247.399
Base-Backbone interact. energy: -2.407
local terms energy: -273.225585
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: -58.301
Dist. restrs. and SS energy: -208.800 (S_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: -1030.182486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.182486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.382486 (E_RNA)
where:
Base-Base interactions energy: -601.472
where: short stacking energy: -221.785
Base-Backbone interact. energy: -1.519
local terms energy: -236.391330
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -53.480
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -50.135
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1493.312701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.312701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.312701 (E_RNA)
where:
Base-Base interactions energy: -903.009
where: short stacking energy: -362.224
Base-Backbone interact. energy: -1.490
local terms energy: -381.813252
where:
bonds (distance) C4'-P energy: -64.138
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -85.089
flat angles P-C4'-P energy: -61.549
tors. eta vs tors. theta energy: -106.189
Dist. restrs. and SS energy: -207.000 (S_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: 410
Temperature: 0.950000
Total energy: -1429.694049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.694049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.694049 (E_RNA)
where:
Base-Base interactions energy: -855.814
where: short stacking energy: -353.489
Base-Backbone interact. energy: -3.510
local terms energy: -363.369847
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -99.057
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1383.423752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.423752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.223752 (E_RNA)
where:
Base-Base interactions energy: -828.487
where: short stacking energy: -306.125
Base-Backbone interact. energy: -1.097
local terms energy: -339.639726
where:
bonds (distance) C4'-P energy: -58.404
bonds (distance) P-C4' energy: -73.224
flat angles C4'-P-C4' energy: -75.500
flat angles P-C4'-P energy: -55.911
tors. eta vs tors. theta energy: -76.600
Dist. restrs. and SS energy: -214.200 (S_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: 410
Temperature: 1.050000
Total energy: -1350.438380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.438380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.638380 (E_RNA)
where:
Base-Base interactions energy: -788.635
where: short stacking energy: -316.122
Base-Backbone interact. energy: 0.736
local terms energy: -362.739268
where:
bonds (distance) C4'-P energy: -66.801
bonds (distance) P-C4' energy: -67.575
flat angles C4'-P-C4' energy: -79.577
flat angles P-C4'-P energy: -59.625
tors. eta vs tors. theta energy: -89.161
Dist. restrs. and SS energy: -199.800 (S_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: -1263.345752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.345752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.945752 (E_RNA)
where:
Base-Base interactions energy: -764.377
where: short stacking energy: -301.253
Base-Backbone interact. energy: 3.907
local terms energy: -308.476582
where:
bonds (distance) C4'-P energy: -50.973
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -78.157
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -72.012
Dist. restrs. and SS energy: -194.400 (S_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: 410
Temperature: 1.150000
Total energy: -1299.559673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.559673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.159673 (E_RNA)
where:
Base-Base interactions energy: -763.284
where: short stacking energy: -297.771
Base-Backbone interact. energy: -1.087
local terms energy: -331.788373
where:
bonds (distance) C4'-P energy: -59.633
bonds (distance) P-C4' energy: -62.754
flat angles C4'-P-C4' energy: -68.862
flat angles P-C4'-P energy: -52.736
tors. eta vs tors. theta energy: -87.803
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1214.630582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.630582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.630582 (E_RNA)
where:
Base-Base interactions energy: -722.103
where: short stacking energy: -298.604
Base-Backbone interact. energy: -3.341
local terms energy: -291.186482
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -55.710
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -75.913
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1195.586551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.586551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.186551 (E_RNA)
where:
Base-Base interactions energy: -678.190
where: short stacking energy: -274.844
Base-Backbone interact. energy: -0.483
local terms energy: -304.513185
where:
bonds (distance) C4'-P energy: -62.736
bonds (distance) P-C4' energy: -65.761
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -70.254
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1104.804565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.804565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.804565 (E_RNA)
where:
Base-Base interactions energy: -617.841
where: short stacking energy: -246.467
Base-Backbone interact. energy: -0.971
local terms energy: -287.992704
where:
bonds (distance) C4'-P energy: -66.401
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -67.106
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -62.971
Dist. restrs. and SS energy: -198.000 (S_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: 410
Temperature: 1.350000
Total energy: -1034.409826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.409826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.609826 (E_RNA)
where:
Base-Base interactions energy: -597.614
where: short stacking energy: -218.173
Base-Backbone interact. energy: -2.445
local terms energy: -252.551386
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -63.392
flat angles C4'-P-C4' energy: -75.932
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: -48.133
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1513.621671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.621671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.821671 (E_RNA)
where:
Base-Base interactions energy: -921.254
where: short stacking energy: -364.048
Base-Backbone interact. energy: -2.983
local terms energy: -380.584021
where:
bonds (distance) C4'-P energy: -73.562
bonds (distance) P-C4' energy: -68.385
flat angles C4'-P-C4' energy: -82.735
flat angles P-C4'-P energy: -57.737
tors. eta vs tors. theta energy: -98.165
Dist. restrs. and SS energy: -208.800 (S_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: 411
Temperature: 0.950000
Total energy: -1460.262245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.262245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.462245 (E_RNA)
where:
Base-Base interactions energy: -849.968
where: short stacking energy: -367.782
Base-Backbone interact. energy: -1.110
local terms energy: -400.384822
where:
bonds (distance) C4'-P energy: -69.657
bonds (distance) P-C4' energy: -83.179
flat angles C4'-P-C4' energy: -86.075
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -107.244
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1389.530999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.530999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.330999 (E_RNA)
where:
Base-Base interactions energy: -834.091
where: short stacking energy: -310.487
Base-Backbone interact. energy: -0.173
local terms energy: -341.067045
where:
bonds (distance) C4'-P energy: -58.978
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -86.345
flat angles P-C4'-P energy: -58.418
tors. eta vs tors. theta energy: -72.220
Dist. restrs. and SS energy: -214.200 (S_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: 411
Temperature: 1.050000
Total energy: -1333.229084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.229084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.629084 (E_RNA)
where:
Base-Base interactions energy: -773.041
where: short stacking energy: -339.899
Base-Backbone interact. energy: -2.711
local terms energy: -355.876585
where:
bonds (distance) C4'-P energy: -68.159
bonds (distance) P-C4' energy: -68.614
flat angles C4'-P-C4' energy: -74.477
flat angles P-C4'-P energy: -55.918
tors. eta vs tors. theta energy: -88.709
Dist. restrs. and SS energy: -201.600 (S_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: 411
Temperature: 1.100000
Total energy: -1292.151939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.151939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.751939 (E_RNA)
where:
Base-Base interactions energy: -791.338
where: short stacking energy: -302.959
Base-Backbone interact. energy: -3.095
local terms energy: -303.319209
where:
bonds (distance) C4'-P energy: -57.501
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -69.626
flat angles P-C4'-P energy: -54.546
tors. eta vs tors. theta energy: -75.739
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1261.194789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.194789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.394789 (E_RNA)
where:
Base-Base interactions energy: -766.472
where: short stacking energy: -318.478
Base-Backbone interact. energy: -0.273
local terms energy: -294.650258
where:
bonds (distance) C4'-P energy: -50.988
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -69.372
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -77.313
Dist. restrs. and SS energy: -199.800 (S_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: 411
Temperature: 1.200000
Total energy: -1256.705887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.705887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.905887 (E_RNA)
where:
Base-Base interactions energy: -749.459
where: short stacking energy: -309.588
Base-Backbone interact. energy: -0.097
local terms energy: -307.349647
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -74.138
flat angles C4'-P-C4' energy: -65.635
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -71.627
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1161.479525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.479525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.879525 (E_RNA)
where:
Base-Base interactions energy: -655.603
where: short stacking energy: -271.147
Base-Backbone interact. energy: 1.993
local terms energy: -288.270275
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -71.226
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -61.688
Dist. restrs. and SS energy: -219.600 (S_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: 411
Temperature: 1.300000
Total energy: -1107.313063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.313063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.913063 (E_RNA)
where:
Base-Base interactions energy: -625.907
where: short stacking energy: -249.561
Base-Backbone interact. energy: 0.803
local terms energy: -278.809408
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -66.089
flat angles C4'-P-C4' energy: -64.413
flat angles P-C4'-P energy: -45.045
tors. eta vs tors. theta energy: -50.454
Dist. restrs. and SS energy: -203.400 (S_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: 411
Temperature: 1.350000
Total energy: -1045.506858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.506858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.506858 (E_RNA)
where:
Base-Base interactions energy: -616.153
where: short stacking energy: -232.831
Base-Backbone interact. energy: -0.342
local terms energy: -231.011846
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -51.004
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1497.118580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.118580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.918580 (E_RNA)
where:
Base-Base interactions energy: -918.384
where: short stacking energy: -355.833
Base-Backbone interact. energy: -0.684
local terms energy: -372.850682
where:
bonds (distance) C4'-P energy: -69.771
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -74.831
flat angles P-C4'-P energy: -60.148
tors. eta vs tors. theta energy: -98.812
Dist. restrs. and SS energy: -205.200 (S_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: 412
Temperature: 0.950000
Total energy: -1413.369671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.369671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.569671 (E_RNA)
where:
Base-Base interactions energy: -832.665
where: short stacking energy: -354.857
Base-Backbone interact. energy: -1.659
local terms energy: -370.245548
where:
bonds (distance) C4'-P energy: -67.817
bonds (distance) P-C4' energy: -67.712
flat angles C4'-P-C4' energy: -79.967
flat angles P-C4'-P energy: -55.094
tors. eta vs tors. theta energy: -99.657
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1409.279339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.279339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.479339 (E_RNA)
where:
Base-Base interactions energy: -850.708
where: short stacking energy: -329.716
Base-Backbone interact. energy: -1.741
local terms energy: -348.030140
where:
bonds (distance) C4'-P energy: -66.862
bonds (distance) P-C4' energy: -70.761
flat angles C4'-P-C4' energy: -71.288
flat angles P-C4'-P energy: -56.210
tors. eta vs tors. theta energy: -82.909
Dist. restrs. and SS energy: -208.800 (S_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: 412
Temperature: 1.050000
Total energy: -1330.495850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.495850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.495850 (E_RNA)
where:
Base-Base interactions energy: -766.136
where: short stacking energy: -320.854
Base-Backbone interact. energy: -0.026
local terms energy: -357.333472
where:
bonds (distance) C4'-P energy: -62.735
bonds (distance) P-C4' energy: -78.790
flat angles C4'-P-C4' energy: -72.282
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -88.396
Dist. restrs. and SS energy: -207.000 (S_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: 412
Temperature: 1.100000
Total energy: -1308.330539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.330539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.130539 (E_RNA)
where:
Base-Base interactions energy: -757.813
where: short stacking energy: -301.939
Base-Backbone interact. energy: -0.385
local terms energy: -353.932445
where:
bonds (distance) C4'-P energy: -69.775
bonds (distance) P-C4' energy: -76.279
flat angles C4'-P-C4' energy: -72.341
flat angles P-C4'-P energy: -52.584
tors. eta vs tors. theta energy: -82.953
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1237.717936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.717936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.117936 (E_RNA)
where:
Base-Base interactions energy: -714.874
where: short stacking energy: -283.881
Base-Backbone interact. energy: -4.297
local terms energy: -325.946077
where:
bonds (distance) C4'-P energy: -58.121
bonds (distance) P-C4' energy: -67.357
flat angles C4'-P-C4' energy: -80.087
flat angles P-C4'-P energy: -53.260
tors. eta vs tors. theta energy: -67.122
Dist. restrs. and SS energy: -192.600 (S_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: 412
Temperature: 1.200000
Total energy: -1258.416303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.416303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.416303 (E_RNA)
where:
Base-Base interactions energy: -731.279
where: short stacking energy: -274.158
Base-Backbone interact. energy: -1.850
local terms energy: -318.287441
where:
bonds (distance) C4'-P energy: -65.050
bonds (distance) P-C4' energy: -70.862
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -66.485
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1163.254793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.254793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.454793 (E_RNA)
where:
Base-Base interactions energy: -647.889
where: short stacking energy: -254.500
Base-Backbone interact. energy: 0.836
local terms energy: -298.401788
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -72.489
flat angles C4'-P-C4' energy: -74.544
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -61.298
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1124.272538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.272538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.072538 (E_RNA)
where:
Base-Base interactions energy: -644.097
where: short stacking energy: -249.701
Base-Backbone interact. energy: 1.579
local terms energy: -267.554192
where:
bonds (distance) C4'-P energy: -56.743
bonds (distance) P-C4' energy: -60.518
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: -53.818
Dist. restrs. and SS energy: -214.200 (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: 412
Temperature: 1.350000
Total energy: -1055.249339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.249339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.449339 (E_RNA)
where:
Base-Base interactions energy: -616.361
where: short stacking energy: -219.061
Base-Backbone interact. energy: -2.894
local terms energy: -245.194369
where:
bonds (distance) C4'-P energy: -57.021
bonds (distance) P-C4' energy: -70.984
flat angles C4'-P-C4' energy: -66.348
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1506.671932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.671932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.671932 (E_RNA)
where:
Base-Base interactions energy: -916.825
where: short stacking energy: -363.901
Base-Backbone interact. energy: -1.491
local terms energy: -381.355496
where:
bonds (distance) C4'-P energy: -67.488
bonds (distance) P-C4' energy: -75.336
flat angles C4'-P-C4' energy: -83.904
flat angles P-C4'-P energy: -57.713
tors. eta vs tors. theta energy: -96.914
Dist. restrs. and SS energy: -207.000 (S_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: 413
Temperature: 0.950000
Total energy: -1427.124826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.124826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.324826 (E_RNA)
where:
Base-Base interactions energy: -840.953
where: short stacking energy: -366.507
Base-Backbone interact. energy: 0.597
local terms energy: -377.968453
where:
bonds (distance) C4'-P energy: -65.415
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -75.915
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -104.141
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1413.910718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.910718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.710718 (E_RNA)
where:
Base-Base interactions energy: -847.909
where: short stacking energy: -320.706
Base-Backbone interact. energy: -3.502
local terms energy: -348.299975
where:
bonds (distance) C4'-P energy: -71.733
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -77.767
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -82.597
Dist. restrs. and SS energy: -214.200 (S_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: 413
Temperature: 1.050000
Total energy: -1331.768805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.768805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.968805 (E_RNA)
where:
Base-Base interactions energy: -771.372
where: short stacking energy: -322.983
Base-Backbone interact. energy: -0.918
local terms energy: -359.678509
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -77.027
flat angles C4'-P-C4' energy: -79.190
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -94.802
Dist. restrs. and SS energy: -199.800 (S_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: 413
Temperature: 1.100000
Total energy: -1322.083745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.083745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.883745 (E_RNA)
where:
Base-Base interactions energy: -775.065
where: short stacking energy: -315.191
Base-Backbone interact. energy: -3.266
local terms energy: -338.553179
where:
bonds (distance) C4'-P energy: -73.175
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -70.373
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -87.847
Dist. restrs. and SS energy: -205.200 (S_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: 413
Temperature: 1.150000
Total energy: -1256.686921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.686921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.486921 (E_RNA)
where:
Base-Base interactions energy: -734.190
where: short stacking energy: -313.057
Base-Backbone interact. energy: -0.434
local terms energy: -316.862707
where:
bonds (distance) C4'-P energy: -49.434
bonds (distance) P-C4' energy: -64.536
flat angles C4'-P-C4' energy: -81.580
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -79.859
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1202.899221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.899221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.499221 (E_RNA)
where:
Base-Base interactions energy: -722.739
where: short stacking energy: -275.675
Base-Backbone interact. energy: -0.132
local terms energy: -285.628595
where:
bonds (distance) C4'-P energy: -49.955
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -73.162
flat angles P-C4'-P energy: -39.295
tors. eta vs tors. theta energy: -60.299
Dist. restrs. and SS energy: -194.400 (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: 413
Temperature: 1.250000
Total energy: -1198.753096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.753096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.153096 (E_RNA)
where:
Base-Base interactions energy: -697.384
where: short stacking energy: -279.364
Base-Backbone interact. energy: -1.804
local terms energy: -288.964490
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -67.853
flat angles C4'-P-C4' energy: -75.181
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -58.299
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1151.296654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.296654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.096654 (E_RNA)
where:
Base-Base interactions energy: -680.817
where: short stacking energy: -282.541
Base-Backbone interact. energy: 0.310
local terms energy: -265.589448
where:
bonds (distance) C4'-P energy: -53.734
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -60.706
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -69.438
Dist. restrs. and SS energy: -205.200 (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: 413
Temperature: 1.350000
Total energy: -1056.405722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.405722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.005722 (E_RNA)
where:
Base-Base interactions energy: -592.685
where: short stacking energy: -224.520
Base-Backbone interact. energy: -5.326
local terms energy: -272.995231
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -61.501
flat angles C4'-P-C4' energy: -69.631
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -40.391
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1513.466190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.466190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.466190 (E_RNA)
where:
Base-Base interactions energy: -906.036
where: short stacking energy: -353.322
Base-Backbone interact. energy: -0.587
local terms energy: -399.844091
where:
bonds (distance) C4'-P energy: -69.253
bonds (distance) P-C4' energy: -85.567
flat angles C4'-P-C4' energy: -87.612
flat angles P-C4'-P energy: -58.035
tors. eta vs tors. theta energy: -99.377
Dist. restrs. and SS energy: -207.000 (S_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: 414
Temperature: 0.950000
Total energy: -1432.116613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.116613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.116613 (E_RNA)
where:
Base-Base interactions energy: -830.324
where: short stacking energy: -340.396
Base-Backbone interact. energy: -2.484
local terms energy: -392.308254
where:
bonds (distance) C4'-P energy: -78.507
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -81.938
flat angles P-C4'-P energy: -62.833
tors. eta vs tors. theta energy: -101.774
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1375.056285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.056285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.856285 (E_RNA)
where:
Base-Base interactions energy: -829.289
where: short stacking energy: -315.056
Base-Backbone interact. energy: 2.559
local terms energy: -334.126240
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -66.649
flat angles C4'-P-C4' energy: -80.206
flat angles P-C4'-P energy: -50.700
tors. eta vs tors. theta energy: -74.892
Dist. restrs. and SS energy: -214.200 (S_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: 414
Temperature: 1.050000
Total energy: -1322.731842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.731842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.931842 (E_RNA)
where:
Base-Base interactions energy: -786.611
where: short stacking energy: -318.396
Base-Backbone interact. energy: -1.427
local terms energy: -334.893609
where:
bonds (distance) C4'-P energy: -74.530
bonds (distance) P-C4' energy: -69.988
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -82.162
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1317.775323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.775323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.975323 (E_RNA)
where:
Base-Base interactions energy: -755.384
where: short stacking energy: -312.680
Base-Backbone interact. energy: -2.163
local terms energy: -351.428049
where:
bonds (distance) C4'-P energy: -68.763
bonds (distance) P-C4' energy: -72.759
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -56.761
tors. eta vs tors. theta energy: -86.731
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1286.542634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.542634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.742634 (E_RNA)
where:
Base-Base interactions energy: -736.808
where: short stacking energy: -281.217
Base-Backbone interact. energy: -4.549
local terms energy: -336.385668
where:
bonds (distance) C4'-P energy: -66.559
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -73.715
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -80.600
Dist. restrs. and SS energy: -208.800 (S_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: 414
Temperature: 1.200000
Total energy: -1229.778138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.778138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.778138 (E_RNA)
where:
Base-Base interactions energy: -722.584
where: short stacking energy: -281.901
Base-Backbone interact. energy: -4.012
local terms energy: -287.182133
where:
bonds (distance) C4'-P energy: -52.979
bonds (distance) P-C4' energy: -67.133
flat angles C4'-P-C4' energy: -61.137
flat angles P-C4'-P energy: -43.415
tors. eta vs tors. theta energy: -62.517
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1144.009453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.009453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.209453 (E_RNA)
where:
Base-Base interactions energy: -655.950
where: short stacking energy: -245.646
Base-Backbone interact. energy: 0.033
local terms energy: -288.292448
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -69.672
flat angles C4'-P-C4' energy: -63.039
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -50.366
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1164.328731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.328731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.528731 (E_RNA)
where:
Base-Base interactions energy: -652.288
where: short stacking energy: -266.223
Base-Backbone interact. energy: -0.514
local terms energy: -302.726956
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -69.761
Dist. restrs. and SS energy: -208.800 (S_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: -989.882543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.882543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.882543 (E_RNA)
where:
Base-Base interactions energy: -564.003
where: short stacking energy: -195.107
Base-Backbone interact. energy: -2.330
local terms energy: -243.549922
where:
bonds (distance) C4'-P energy: -59.767
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -33.751
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1489.143632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.143632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.143632 (E_RNA)
where:
Base-Base interactions energy: -905.610
where: short stacking energy: -363.820
Base-Backbone interact. energy: -3.870
local terms energy: -372.664400
where:
bonds (distance) C4'-P energy: -76.214
bonds (distance) P-C4' energy: -72.667
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -99.056
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1392.613532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.613532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.813532 (E_RNA)
where:
Base-Base interactions energy: -827.053
where: short stacking energy: -334.936
Base-Backbone interact. energy: 2.549
local terms energy: -359.309536
where:
bonds (distance) C4'-P energy: -77.759
bonds (distance) P-C4' energy: -66.936
flat angles C4'-P-C4' energy: -81.439
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -85.339
Dist. restrs. and SS energy: -208.800 (S_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: 415
Temperature: 1.000000
Total energy: -1425.668720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.668720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.468720 (E_RNA)
where:
Base-Base interactions energy: -829.623
where: short stacking energy: -339.182
Base-Backbone interact. energy: -2.786
local terms energy: -388.059692
where:
bonds (distance) C4'-P energy: -79.799
bonds (distance) P-C4' energy: -73.944
flat angles C4'-P-C4' energy: -75.951
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: -97.068
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1348.296973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.296973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.096973 (E_RNA)
where:
Base-Base interactions energy: -805.788
where: short stacking energy: -338.110
Base-Backbone interact. energy: -1.306
local terms energy: -336.003282
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -64.116
flat angles C4'-P-C4' energy: -83.773
flat angles P-C4'-P energy: -51.770
tors. eta vs tors. theta energy: -81.555
Dist. restrs. and SS energy: -205.200 (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: 415
Temperature: 1.100000
Total energy: -1310.052627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.052627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.252627 (E_RNA)
where:
Base-Base interactions energy: -780.110
where: short stacking energy: -319.158
Base-Backbone interact. energy: -2.162
local terms energy: -327.980525
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -59.205
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -46.308
tors. eta vs tors. theta energy: -95.797
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1256.968755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.968755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.368755 (E_RNA)
where:
Base-Base interactions energy: -738.067
where: short stacking energy: -292.301
Base-Backbone interact. energy: -1.979
local terms energy: -315.322868
where:
bonds (distance) C4'-P energy: -59.004
bonds (distance) P-C4' energy: -63.621
flat angles C4'-P-C4' energy: -68.127
flat angles P-C4'-P energy: -48.123
tors. eta vs tors. theta energy: -76.447
Dist. restrs. and SS energy: -201.600 (S_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: 415
Temperature: 1.200000
Total energy: -1183.242291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.242291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.642291 (E_RNA)
where:
Base-Base interactions energy: -688.890
where: short stacking energy: -263.975
Base-Backbone interact. energy: -1.835
local terms energy: -272.917080
where:
bonds (distance) C4'-P energy: -56.635
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -65.023
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -49.292
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1167.214089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.214089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.614089 (E_RNA)
where:
Base-Base interactions energy: -665.533
where: short stacking energy: -264.010
Base-Backbone interact. energy: -2.288
local terms energy: -288.793148
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -60.058
flat angles C4'-P-C4' energy: -63.398
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -64.540
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1127.989605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.989605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.389605 (E_RNA)
where:
Base-Base interactions energy: -647.661
where: short stacking energy: -241.346
Base-Backbone interact. energy: -0.901
local terms energy: -286.828057
where:
bonds (distance) C4'-P energy: -55.813
bonds (distance) P-C4' energy: -59.349
flat angles C4'-P-C4' energy: -76.266
flat angles P-C4'-P energy: -38.510
tors. eta vs tors. theta energy: -56.890
Dist. restrs. and SS energy: -192.600 (S_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: -1024.436294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.436294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.436294 (E_RNA)
where:
Base-Base interactions energy: -600.377
where: short stacking energy: -222.047
Base-Backbone interact. energy: -1.239
local terms energy: -233.820770
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -58.779
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -46.213
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1507.066379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.066379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.066379 (E_RNA)
where:
Base-Base interactions energy: -922.319
where: short stacking energy: -349.124
Base-Backbone interact. energy: 2.897
local terms energy: -380.644136
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -81.849
flat angles C4'-P-C4' energy: -72.143
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -99.989
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1406.096135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.096135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.896135 (E_RNA)
where:
Base-Base interactions energy: -852.834
where: short stacking energy: -341.854
Base-Backbone interact. energy: -2.057
local terms energy: -337.005253
where:
bonds (distance) C4'-P energy: -70.581
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -74.113
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -81.208
Dist. restrs. and SS energy: -214.200 (S_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: 416
Temperature: 1.000000
Total energy: -1364.448097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.448097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.648097 (E_RNA)
where:
Base-Base interactions energy: -825.527
where: short stacking energy: -316.479
Base-Backbone interact. energy: -1.364
local terms energy: -328.757287
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -62.320
flat angles C4'-P-C4' energy: -77.201
flat angles P-C4'-P energy: -49.393
tors. eta vs tors. theta energy: -85.147
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1380.401396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.401396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.201396 (E_RNA)
where:
Base-Base interactions energy: -828.737
where: short stacking energy: -341.063
Base-Backbone interact. energy: -0.164
local terms energy: -346.300746
where:
bonds (distance) C4'-P energy: -48.143
bonds (distance) P-C4' energy: -73.045
flat angles C4'-P-C4' energy: -75.863
flat angles P-C4'-P energy: -46.073
tors. eta vs tors. theta energy: -103.177
Dist. restrs. and SS energy: -205.200 (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: 416
Temperature: 1.100000
Total energy: -1305.378613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.378613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.778613 (E_RNA)
where:
Base-Base interactions energy: -764.908
where: short stacking energy: -315.373
Base-Backbone interact. energy: -3.841
local terms energy: -335.029890
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -68.425
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -92.074
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1277.265171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.265171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.665171 (E_RNA)
where:
Base-Base interactions energy: -759.712
where: short stacking energy: -294.585
Base-Backbone interact. energy: -1.335
local terms energy: -305.618214
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -54.972
flat angles C4'-P-C4' energy: -65.218
flat angles P-C4'-P energy: -46.495
tors. eta vs tors. theta energy: -79.793
Dist. restrs. and SS energy: -210.600 (S_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: 416
Temperature: 1.200000
Total energy: -1190.361426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.361426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.561426 (E_RNA)
where:
Base-Base interactions energy: -692.085
where: short stacking energy: -274.716
Base-Backbone interact. energy: -1.240
local terms energy: -288.237131
where:
bonds (distance) C4'-P energy: -67.054
bonds (distance) P-C4' energy: -65.813
flat angles C4'-P-C4' energy: -62.160
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -65.314
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1174.217003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.217003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.617003 (E_RNA)
where:
Base-Base interactions energy: -679.170
where: short stacking energy: -267.372
Base-Backbone interact. energy: -0.626
local terms energy: -274.821705
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -71.423
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -55.821
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1130.659631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.659631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.059631 (E_RNA)
where:
Base-Base interactions energy: -639.907
where: short stacking energy: -245.271
Base-Backbone interact. energy: -0.718
local terms energy: -297.434538
where:
bonds (distance) C4'-P energy: -62.860
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -65.594
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: -73.720
Dist. restrs. and SS energy: -192.600 (S_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: 416
Temperature: 1.350000
Total energy: -1006.578090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.578090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.578090 (E_RNA)
where:
Base-Base interactions energy: -568.444
where: short stacking energy: -219.700
Base-Backbone interact. energy: 1.958
local terms energy: -260.092488
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -60.828
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -46.466
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1495.496803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.496803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.296803 (E_RNA)
where:
Base-Base interactions energy: -902.793
where: short stacking energy: -356.315
Base-Backbone interact. energy: -3.856
local terms energy: -383.647476
where:
bonds (distance) C4'-P energy: -70.358
bonds (distance) P-C4' energy: -71.527
flat angles C4'-P-C4' energy: -77.202
flat angles P-C4'-P energy: -62.466
tors. eta vs tors. theta energy: -102.094
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1421.208874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.208874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.208874 (E_RNA)
where:
Base-Base interactions energy: -825.679
where: short stacking energy: -315.459
Base-Backbone interact. energy: -1.222
local terms energy: -378.308005
where:
bonds (distance) C4'-P energy: -75.142
bonds (distance) P-C4' energy: -81.284
flat angles C4'-P-C4' energy: -83.792
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -88.599
Dist. restrs. and SS energy: -216.000 (S_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: 417
Temperature: 1.000000
Total energy: -1381.957901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.957901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.957901 (E_RNA)
where:
Base-Base interactions energy: -827.219
where: short stacking energy: -333.050
Base-Backbone interact. energy: 1.579
local terms energy: -349.318617
where:
bonds (distance) C4'-P energy: -66.157
bonds (distance) P-C4' energy: -65.148
flat angles C4'-P-C4' energy: -69.702
flat angles P-C4'-P energy: -54.068
tors. eta vs tors. theta energy: -94.243
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1352.951079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.951079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.551079 (E_RNA)
where:
Base-Base interactions energy: -807.942
where: short stacking energy: -330.246
Base-Backbone interact. energy: -0.359
local terms energy: -341.250401
where:
bonds (distance) C4'-P energy: -62.362
bonds (distance) P-C4' energy: -63.526
flat angles C4'-P-C4' energy: -77.740
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -90.906
Dist. restrs. and SS energy: -203.400 (S_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: 417
Temperature: 1.100000
Total energy: -1316.304173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.304173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.104173 (E_RNA)
where:
Base-Base interactions energy: -786.905
where: short stacking energy: -310.286
Base-Backbone interact. energy: -0.010
local terms energy: -333.189168
where:
bonds (distance) C4'-P energy: -66.273
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -50.127
tors. eta vs tors. theta energy: -84.148
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1280.471554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.471554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.071554 (E_RNA)
where:
Base-Base interactions energy: -740.152
where: short stacking energy: -302.914
Base-Backbone interact. energy: -2.584
local terms energy: -334.335080
where:
bonds (distance) C4'-P energy: -65.482
bonds (distance) P-C4' energy: -62.010
flat angles C4'-P-C4' energy: -77.878
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -80.968
Dist. restrs. and SS energy: -203.400 (S_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: 417
Temperature: 1.200000
Total energy: -1176.781708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.781708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.781708 (E_RNA)
where:
Base-Base interactions energy: -662.727
where: short stacking energy: -262.421
Base-Backbone interact. energy: -1.470
local terms energy: -296.585289
where:
bonds (distance) C4'-P energy: -60.583
bonds (distance) P-C4' energy: -78.486
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1191.407302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.407302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.807302 (E_RNA)
where:
Base-Base interactions energy: -687.775
where: short stacking energy: -275.277
Base-Backbone interact. energy: 4.098
local terms energy: -288.129783
where:
bonds (distance) C4'-P energy: -57.422
bonds (distance) P-C4' energy: -59.329
flat angles C4'-P-C4' energy: -74.314
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -64.908
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1118.297370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.297370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.497370 (E_RNA)
where:
Base-Base interactions energy: -661.857
where: short stacking energy: -248.860
Base-Backbone interact. energy: -2.802
local terms energy: -253.838621
where:
bonds (distance) C4'-P energy: -62.899
bonds (distance) P-C4' energy: -40.505
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: -56.220
Dist. restrs. and SS energy: -199.800 (S_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: 417
Temperature: 1.350000
Total energy: -1010.202207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.202207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.002207 (E_RNA)
where:
Base-Base interactions energy: -577.363
where: short stacking energy: -217.301
Base-Backbone interact. energy: 0.415
local terms energy: -246.053900
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -56.231
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -40.798
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1492.999812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.999812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.199812 (E_RNA)
where:
Base-Base interactions energy: -911.088
where: short stacking energy: -345.947
Base-Backbone interact. energy: -2.028
local terms energy: -371.084148
where:
bonds (distance) C4'-P energy: -61.456
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -56.010
tors. eta vs tors. theta energy: -95.995
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1408.689561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.689561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.289561 (E_RNA)
where:
Base-Base interactions energy: -841.523
where: short stacking energy: -327.696
Base-Backbone interact. energy: -1.487
local terms energy: -353.279264
where:
bonds (distance) C4'-P energy: -68.332
bonds (distance) P-C4' energy: -81.084
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -78.141
Dist. restrs. and SS energy: -212.400 (S_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: 418
Temperature: 1.000000
Total energy: -1397.762194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.762194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.362194 (E_RNA)
where:
Base-Base interactions energy: -850.229
where: short stacking energy: -345.248
Base-Backbone interact. energy: -1.921
local terms energy: -342.212093
where:
bonds (distance) C4'-P energy: -67.963
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -68.766
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: -91.208
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1359.949251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.949251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.349251 (E_RNA)
where:
Base-Base interactions energy: -799.580
where: short stacking energy: -326.352
Base-Backbone interact. energy: -2.330
local terms energy: -356.439404
where:
bonds (distance) C4'-P energy: -59.927
bonds (distance) P-C4' energy: -81.240
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -54.753
tors. eta vs tors. theta energy: -83.183
Dist. restrs. and SS energy: -201.600 (S_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: 418
Temperature: 1.100000
Total energy: -1304.896841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.896841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.096841 (E_RNA)
where:
Base-Base interactions energy: -783.824
where: short stacking energy: -323.521
Base-Backbone interact. energy: -0.850
local terms energy: -320.422092
where:
bonds (distance) C4'-P energy: -57.296
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -83.221
flat angles P-C4'-P energy: -33.602
tors. eta vs tors. theta energy: -81.479
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1292.613789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.613789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.213789 (E_RNA)
where:
Base-Base interactions energy: -757.323
where: short stacking energy: -297.642
Base-Backbone interact. energy: -0.838
local terms energy: -322.051967
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -65.239
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -52.774
tors. eta vs tors. theta energy: -80.469
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1203.403691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.403691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.203691 (E_RNA)
where:
Base-Base interactions energy: -688.758
where: short stacking energy: -287.421
Base-Backbone interact. energy: -2.902
local terms energy: -297.542982
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -69.747
flat angles C4'-P-C4' energy: -71.311
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1118.236102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.236102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.236102 (E_RNA)
where:
Base-Base interactions energy: -620.217
where: short stacking energy: -244.850
Base-Backbone interact. energy: -1.097
local terms energy: -289.921556
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -73.718
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -55.491
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1092.157012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.157012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.357012 (E_RNA)
where:
Base-Base interactions energy: -628.838
where: short stacking energy: -240.625
Base-Backbone interact. energy: -0.736
local terms energy: -262.782494
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -55.208
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -60.248
Dist. restrs. and SS energy: -199.800 (S_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: 418
Temperature: 1.350000
Total energy: -1020.695970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.695970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.895970 (E_RNA)
where:
Base-Base interactions energy: -568.066
where: short stacking energy: -222.277
Base-Backbone interact. energy: 5.689
local terms energy: -267.518581
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -69.993
flat angles C4'-P-C4' energy: -58.602
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: -37.306
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1533.446439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.446439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.446439 (E_RNA)
where:
Base-Base interactions energy: -949.429
where: short stacking energy: -360.217
Base-Backbone interact. energy: -5.359
local terms energy: -371.658409
where:
bonds (distance) C4'-P energy: -61.386
bonds (distance) P-C4' energy: -72.447
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -56.102
tors. eta vs tors. theta energy: -89.461
Dist. restrs. and SS energy: -207.000 (S_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: 419
Temperature: 0.950000
Total energy: -1409.231770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.231770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.231770 (E_RNA)
where:
Base-Base interactions energy: -833.269
where: short stacking energy: -332.875
Base-Backbone interact. energy: -0.498
local terms energy: -368.464662
where:
bonds (distance) C4'-P energy: -75.344
bonds (distance) P-C4' energy: -71.684
flat angles C4'-P-C4' energy: -76.272
flat angles P-C4'-P energy: -58.628
tors. eta vs tors. theta energy: -86.537
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1390.495879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.495879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.295879 (E_RNA)
where:
Base-Base interactions energy: -863.312
where: short stacking energy: -324.667
Base-Backbone interact. energy: 3.024
local terms energy: -316.008259
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -70.322
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -69.576
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1374.323999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.323999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.123999 (E_RNA)
where:
Base-Base interactions energy: -834.733
where: short stacking energy: -327.942
Base-Backbone interact. energy: -3.628
local terms energy: -330.762477
where:
bonds (distance) C4'-P energy: -68.732
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -73.778
flat angles P-C4'-P energy: -49.646
tors. eta vs tors. theta energy: -88.571
Dist. restrs. and SS energy: -205.200 (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: 419
Temperature: 1.100000
Total energy: -1300.312738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.312738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.312738 (E_RNA)
where:
Base-Base interactions energy: -759.313
where: short stacking energy: -302.417
Base-Backbone interact. energy: -1.447
local terms energy: -341.552341
where:
bonds (distance) C4'-P energy: -63.761
bonds (distance) P-C4' energy: -70.177
flat angles C4'-P-C4' energy: -74.572
flat angles P-C4'-P energy: -52.173
tors. eta vs tors. theta energy: -80.870
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1284.443032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.443032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.843032 (E_RNA)
where:
Base-Base interactions energy: -736.033
where: short stacking energy: -291.959
Base-Backbone interact. energy: 0.726
local terms energy: -338.535849
where:
bonds (distance) C4'-P energy: -73.402
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -76.968
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -84.763
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1200.305477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.305477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.305477 (E_RNA)
where:
Base-Base interactions energy: -695.867
where: short stacking energy: -276.569
Base-Backbone interact. energy: -1.159
local terms energy: -287.279621
where:
bonds (distance) C4'-P energy: -51.801
bonds (distance) P-C4' energy: -61.518
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -73.056
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1135.720956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.720956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.520956 (E_RNA)
where:
Base-Base interactions energy: -649.085
where: short stacking energy: -265.938
Base-Backbone interact. energy: -1.076
local terms energy: -280.360096
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -55.882
flat angles C4'-P-C4' energy: -57.855
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -60.766
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1143.931095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.931095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.131095 (E_RNA)
where:
Base-Base interactions energy: -672.541
where: short stacking energy: -255.407
Base-Backbone interact. energy: 1.430
local terms energy: -264.020336
where:
bonds (distance) C4'-P energy: -74.221
bonds (distance) P-C4' energy: -58.851
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: -208.800 (S_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: 419
Temperature: 1.350000
Total energy: -1007.247177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.247177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.847177 (E_RNA)
where:
Base-Base interactions energy: -568.955
where: short stacking energy: -223.251
Base-Backbone interact. energy: 9.091
local terms energy: -252.983209
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -51.253
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1518.236099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.236099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.236099 (E_RNA)
where:
Base-Base interactions energy: -932.969
where: short stacking energy: -351.719
Base-Backbone interact. energy: -2.901
local terms energy: -375.366137
where:
bonds (distance) C4'-P energy: -73.214
bonds (distance) P-C4' energy: -73.686
flat angles C4'-P-C4' energy: -76.453
flat angles P-C4'-P energy: -55.376
tors. eta vs tors. theta energy: -96.638
Dist. restrs. and SS energy: -207.000 (S_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: 420
Temperature: 0.950000
Total energy: -1433.783641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.783641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.783641 (E_RNA)
where:
Base-Base interactions energy: -859.800
where: short stacking energy: -361.871
Base-Backbone interact. energy: -2.812
local terms energy: -364.171963
where:
bonds (distance) C4'-P energy: -66.599
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -77.037
flat angles P-C4'-P energy: -53.998
tors. eta vs tors. theta energy: -99.451
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1345.931626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.931626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.531626 (E_RNA)
where:
Base-Base interactions energy: -808.344
where: short stacking energy: -288.176
Base-Backbone interact. energy: 0.096
local terms energy: -325.283990
where:
bonds (distance) C4'-P energy: -66.521
bonds (distance) P-C4' energy: -80.645
flat angles C4'-P-C4' energy: -70.100
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -65.910
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1375.633066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.633066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.833066 (E_RNA)
where:
Base-Base interactions energy: -829.008
where: short stacking energy: -335.546
Base-Backbone interact. energy: -1.933
local terms energy: -344.892047
where:
bonds (distance) C4'-P energy: -68.726
bonds (distance) P-C4' energy: -58.368
flat angles C4'-P-C4' energy: -79.441
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: -86.775
Dist. restrs. and SS energy: -199.800 (S_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: 420
Temperature: 1.100000
Total energy: -1339.733987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.733987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.933987 (E_RNA)
where:
Base-Base interactions energy: -786.944
where: short stacking energy: -320.734
Base-Backbone interact. energy: 1.417
local terms energy: -345.406928
where:
bonds (distance) C4'-P energy: -57.554
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -80.276
flat angles P-C4'-P energy: -52.052
tors. eta vs tors. theta energy: -89.511
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1293.846231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.846231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.646231 (E_RNA)
where:
Base-Base interactions energy: -785.076
where: short stacking energy: -302.302
Base-Backbone interact. energy: 0.393
local terms energy: -312.963499
where:
bonds (distance) C4'-P energy: -66.887
bonds (distance) P-C4' energy: -60.242
flat angles C4'-P-C4' energy: -70.995
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: -75.535
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1265.153809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.153809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.153809 (E_RNA)
where:
Base-Base interactions energy: -715.218
where: short stacking energy: -286.026
Base-Backbone interact. energy: -2.814
local terms energy: -331.122420
where:
bonds (distance) C4'-P energy: -65.795
bonds (distance) P-C4' energy: -65.176
flat angles C4'-P-C4' energy: -74.527
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -67.636
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1137.267318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.267318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.467318 (E_RNA)
where:
Base-Base interactions energy: -639.070
where: short stacking energy: -243.925
Base-Backbone interact. energy: 0.050
local terms energy: -298.448196
where:
bonds (distance) C4'-P energy: -69.615
bonds (distance) P-C4' energy: -63.300
flat angles C4'-P-C4' energy: -68.294
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: -55.960
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1127.190581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.190581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.590581 (E_RNA)
where:
Base-Base interactions energy: -634.148
where: short stacking energy: -241.222
Base-Backbone interact. energy: -0.724
local terms energy: -281.718282
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -73.015
flat angles C4'-P-C4' energy: -58.911
flat angles P-C4'-P energy: -46.285
tors. eta vs tors. theta energy: -52.015
Dist. restrs. and SS energy: -210.600 (S_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: -1023.387843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.387843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.987843 (E_RNA)
where:
Base-Base interactions energy: -569.502
where: short stacking energy: -204.024
Base-Backbone interact. energy: 1.791
local terms energy: -261.277089
where:
bonds (distance) C4'-P energy: -71.926
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -37.985
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1518.432928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.432928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.232928 (E_RNA)
where:
Base-Base interactions energy: -924.693
where: short stacking energy: -347.025
Base-Backbone interact. energy: -2.246
local terms energy: -386.293828
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -75.947
flat angles C4'-P-C4' energy: -82.541
flat angles P-C4'-P energy: -60.077
tors. eta vs tors. theta energy: -88.935
Dist. restrs. and SS energy: -205.200 (S_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: 421
Temperature: 0.950000
Total energy: -1433.494122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.494122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.694122 (E_RNA)
where:
Base-Base interactions energy: -863.078
where: short stacking energy: -338.507
Base-Backbone interact. energy: -1.107
local terms energy: -360.508547
where:
bonds (distance) C4'-P energy: -76.409
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -81.765
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -92.379
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1364.691944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.691944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.291944 (E_RNA)
where:
Base-Base interactions energy: -836.259
where: short stacking energy: -330.648
Base-Backbone interact. energy: -1.263
local terms energy: -314.770312
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -60.819
flat angles C4'-P-C4' energy: -77.354
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -75.527
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1398.083615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.083615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.083615 (E_RNA)
where:
Base-Base interactions energy: -836.270
where: short stacking energy: -322.265
Base-Backbone interact. energy: 1.509
local terms energy: -356.323403
where:
bonds (distance) C4'-P energy: -66.695
bonds (distance) P-C4' energy: -74.654
flat angles C4'-P-C4' energy: -80.017
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -80.367
Dist. restrs. and SS energy: -207.000 (S_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: 421
Temperature: 1.100000
Total energy: -1306.116570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.116570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.516570 (E_RNA)
where:
Base-Base interactions energy: -755.600
where: short stacking energy: -298.858
Base-Backbone interact. energy: -0.710
local terms energy: -339.206804
where:
bonds (distance) C4'-P energy: -72.733
bonds (distance) P-C4' energy: -62.619
flat angles C4'-P-C4' energy: -70.995
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -81.812
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1290.837360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.837360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.837360 (E_RNA)
where:
Base-Base interactions energy: -758.419
where: short stacking energy: -312.173
Base-Backbone interact. energy: 1.112
local terms energy: -335.530106
where:
bonds (distance) C4'-P energy: -59.752
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -71.989
flat angles P-C4'-P energy: -44.217
tors. eta vs tors. theta energy: -87.034
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1199.701650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.701650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.101650 (E_RNA)
where:
Base-Base interactions energy: -725.914
where: short stacking energy: -282.448
Base-Backbone interact. energy: -3.562
local terms energy: -259.625664
where:
bonds (distance) C4'-P energy: -52.574
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -61.947
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -62.628
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1114.770468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.770468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.170468 (E_RNA)
where:
Base-Base interactions energy: -643.808
where: short stacking energy: -248.493
Base-Backbone interact. energy: 0.281
local terms energy: -269.642982
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -68.301
flat angles C4'-P-C4' energy: -59.793
flat angles P-C4'-P energy: -32.182
tors. eta vs tors. theta energy: -55.330
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1154.576119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.576119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.376119 (E_RNA)
where:
Base-Base interactions energy: -662.476
where: short stacking energy: -255.996
Base-Backbone interact. energy: 2.131
local terms energy: -280.031056
where:
bonds (distance) C4'-P energy: -61.685
bonds (distance) P-C4' energy: -67.622
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -56.314
Dist. restrs. and SS energy: -214.200 (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: 421
Temperature: 1.350000
Total energy: -1017.504266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.504266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.504266 (E_RNA)
where:
Base-Base interactions energy: -579.623
where: short stacking energy: -228.923
Base-Backbone interact. energy: -0.440
local terms energy: -239.441669
where:
bonds (distance) C4'-P energy: -59.673
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -68.367
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: -45.400
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1513.250076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.250076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.850076 (E_RNA)
where:
Base-Base interactions energy: -939.199
where: short stacking energy: -352.157
Base-Backbone interact. energy: -2.569
local terms energy: -368.082136
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -73.095
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -56.267
tors. eta vs tors. theta energy: -88.461
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1421.668724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.668724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.468724 (E_RNA)
where:
Base-Base interactions energy: -850.295
where: short stacking energy: -335.700
Base-Backbone interact. energy: -2.870
local terms energy: -363.303758
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -74.406
flat angles C4'-P-C4' energy: -79.118
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -92.287
Dist. restrs. and SS energy: -205.200 (S_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: 422
Temperature: 1.000000
Total energy: -1406.448890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.448890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.448890 (E_RNA)
where:
Base-Base interactions energy: -844.460
where: short stacking energy: -344.353
Base-Backbone interact. energy: -1.449
local terms energy: -353.539864
where:
bonds (distance) C4'-P energy: -62.818
bonds (distance) P-C4' energy: -73.810
flat angles C4'-P-C4' energy: -71.829
flat angles P-C4'-P energy: -44.528
tors. eta vs tors. theta energy: -100.556
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1333.063012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.063012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.663012 (E_RNA)
where:
Base-Base interactions energy: -792.353
where: short stacking energy: -292.402
Base-Backbone interact. energy: -1.204
local terms energy: -327.106000
where:
bonds (distance) C4'-P energy: -61.056
bonds (distance) P-C4' energy: -75.386
flat angles C4'-P-C4' energy: -69.211
flat angles P-C4'-P energy: -54.811
tors. eta vs tors. theta energy: -66.642
Dist. restrs. and SS energy: -212.400 (S_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: 422
Temperature: 1.100000
Total energy: -1323.994574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.994574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.394574 (E_RNA)
where:
Base-Base interactions energy: -780.787
where: short stacking energy: -312.031
Base-Backbone interact. energy: -2.001
local terms energy: -348.606652
where:
bonds (distance) C4'-P energy: -72.513
bonds (distance) P-C4' energy: -69.890
flat angles C4'-P-C4' energy: -68.540
flat angles P-C4'-P energy: -50.934
tors. eta vs tors. theta energy: -86.730
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1291.037373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.037373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.637373 (E_RNA)
where:
Base-Base interactions energy: -741.846
where: short stacking energy: -321.625
Base-Backbone interact. energy: -0.742
local terms energy: -345.048775
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -71.564
flat angles C4'-P-C4' energy: -77.500
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -82.570
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1176.896717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.896717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.496717 (E_RNA)
where:
Base-Base interactions energy: -683.151
where: short stacking energy: -271.289
Base-Backbone interact. energy: 5.777
local terms energy: -278.123046
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -64.170
flat angles C4'-P-C4' energy: -60.580
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -63.982
Dist. restrs. and SS energy: -221.400 (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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1127.431233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.431233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.831233 (E_RNA)
where:
Base-Base interactions energy: -632.075
where: short stacking energy: -251.092
Base-Backbone interact. energy: 1.692
local terms energy: -295.448874
where:
bonds (distance) C4'-P energy: -66.984
bonds (distance) P-C4' energy: -60.489
flat angles C4'-P-C4' energy: -71.029
flat angles P-C4'-P energy: -44.238
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: -201.600 (S_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: 422
Temperature: 1.300000
Total energy: -1129.500916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.500916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.100916 (E_RNA)
where:
Base-Base interactions energy: -656.159
where: short stacking energy: -264.215
Base-Backbone interact. energy: -1.504
local terms energy: -259.437290
where:
bonds (distance) C4'-P energy: -51.998
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -71.964
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -62.751
Dist. restrs. and SS energy: -212.400 (S_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: -1015.684912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.684912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.884912 (E_RNA)
where:
Base-Base interactions energy: -559.546
where: short stacking energy: -227.768
Base-Backbone interact. energy: 3.347
local terms energy: -268.686203
where:
bonds (distance) C4'-P energy: -67.539
bonds (distance) P-C4' energy: -60.113
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1555.973447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.973447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.973447 (E_RNA)
where:
Base-Base interactions energy: -959.377
where: short stacking energy: -351.696
Base-Backbone interact. energy: -7.096
local terms energy: -382.500536
where:
bonds (distance) C4'-P energy: -75.565
bonds (distance) P-C4' energy: -75.042
flat angles C4'-P-C4' energy: -85.212
flat angles P-C4'-P energy: -55.377
tors. eta vs tors. theta energy: -91.304
Dist. restrs. and SS energy: -207.000 (S_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: -1428.438447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.438447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.638447 (E_RNA)
where:
Base-Base interactions energy: -862.521
where: short stacking energy: -350.091
Base-Backbone interact. energy: -3.621
local terms energy: -353.496580
where:
bonds (distance) C4'-P energy: -64.282
bonds (distance) P-C4' energy: -69.341
flat angles C4'-P-C4' energy: -79.866
flat angles P-C4'-P energy: -49.347
tors. eta vs tors. theta energy: -90.661
Dist. restrs. and SS energy: -208.800 (S_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: 423
Temperature: 1.000000
Total energy: -1409.774243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.774243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.574243 (E_RNA)
where:
Base-Base interactions energy: -854.060
where: short stacking energy: -333.775
Base-Backbone interact. energy: -3.399
local terms energy: -347.115907
where:
bonds (distance) C4'-P energy: -61.822
bonds (distance) P-C4' energy: -72.796
flat angles C4'-P-C4' energy: -78.912
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -91.549
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1357.404977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.404977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.204977 (E_RNA)
where:
Base-Base interactions energy: -816.153
where: short stacking energy: -318.523
Base-Backbone interact. energy: 2.698
local terms energy: -329.749805
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -63.832
flat angles C4'-P-C4' energy: -73.177
flat angles P-C4'-P energy: -52.998
tors. eta vs tors. theta energy: -73.245
Dist. restrs. and SS energy: -214.200 (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: 423
Temperature: 1.100000
Total energy: -1323.230611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.230611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.030611 (E_RNA)
where:
Base-Base interactions energy: -770.274
where: short stacking energy: -312.315
Base-Backbone interact. energy: 1.484
local terms energy: -358.240804
where:
bonds (distance) C4'-P energy: -59.412
bonds (distance) P-C4' energy: -80.145
flat angles C4'-P-C4' energy: -82.107
flat angles P-C4'-P energy: -50.806
tors. eta vs tors. theta energy: -85.770
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1301.816904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.816904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.216904 (E_RNA)
where:
Base-Base interactions energy: -745.911
where: short stacking energy: -288.947
Base-Backbone interact. energy: -1.052
local terms energy: -344.253628
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -80.555
flat angles C4'-P-C4' energy: -72.451
flat angles P-C4'-P energy: -52.055
tors. eta vs tors. theta energy: -77.808
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1152.465808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.465808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.265808 (E_RNA)
where:
Base-Base interactions energy: -686.373
where: short stacking energy: -271.241
Base-Backbone interact. energy: -2.106
local terms energy: -249.787289
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: -53.906
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1152.866808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.866808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.866808 (E_RNA)
where:
Base-Base interactions energy: -684.243
where: short stacking energy: -284.093
Base-Backbone interact. energy: 4.079
local terms energy: -256.702629
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -63.485
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -25.982
tors. eta vs tors. theta energy: -64.211
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1117.243197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.243197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.443197 (E_RNA)
where:
Base-Base interactions energy: -629.414
where: short stacking energy: -250.516
Base-Backbone interact. energy: -1.179
local terms energy: -286.850311
where:
bonds (distance) C4'-P energy: -53.033
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -67.078
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -63.037
Dist. restrs. and SS energy: -199.800 (S_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: -1002.507255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.507255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.907255 (E_RNA)
where:
Base-Base interactions energy: -597.995
where: short stacking energy: -227.719
Base-Backbone interact. energy: 4.352
local terms energy: -216.264159
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -46.402
flat angles C4'-P-C4' energy: -55.809
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -46.599
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1547.179458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.179458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.379458 (E_RNA)
where:
Base-Base interactions energy: -953.945
where: short stacking energy: -347.839
Base-Backbone interact. energy: -4.302
local terms energy: -380.132457
where:
bonds (distance) C4'-P energy: -73.773
bonds (distance) P-C4' energy: -75.602
flat angles C4'-P-C4' energy: -76.001
flat angles P-C4'-P energy: -63.564
tors. eta vs tors. theta energy: -91.193
Dist. restrs. and SS energy: -208.800 (S_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: -1424.947633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.947633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.947633 (E_RNA)
where:
Base-Base interactions energy: -872.902
where: short stacking energy: -353.842
Base-Backbone interact. energy: -2.827
local terms energy: -342.218104
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -69.223
flat angles C4'-P-C4' energy: -60.399
flat angles P-C4'-P energy: -49.807
tors. eta vs tors. theta energy: -95.958
Dist. restrs. and SS energy: -207.000 (S_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: 424
Temperature: 1.000000
Total energy: -1390.428433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.428433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.228433 (E_RNA)
where:
Base-Base interactions energy: -832.550
where: short stacking energy: -329.253
Base-Backbone interact. energy: -2.531
local terms energy: -350.147663
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -74.578
flat angles C4'-P-C4' energy: -76.864
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -87.228
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1344.732186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.732186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.732186 (E_RNA)
where:
Base-Base interactions energy: -793.105
where: short stacking energy: -318.567
Base-Backbone interact. energy: -3.059
local terms energy: -341.567881
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -72.588
flat angles C4'-P-C4' energy: -80.500
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -73.791
Dist. restrs. and SS energy: -207.000 (S_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: 424
Temperature: 1.100000
Total energy: -1310.284078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.284078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.484078 (E_RNA)
where:
Base-Base interactions energy: -778.023
where: short stacking energy: -308.830
Base-Backbone interact. energy: -1.552
local terms energy: -330.909335
where:
bonds (distance) C4'-P energy: -63.067
bonds (distance) P-C4' energy: -71.812
flat angles C4'-P-C4' energy: -68.179
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -80.718
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1299.958889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.958889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.358889 (E_RNA)
where:
Base-Base interactions energy: -755.136
where: short stacking energy: -278.920
Base-Backbone interact. energy: -1.292
local terms energy: -332.930424
where:
bonds (distance) C4'-P energy: -64.592
bonds (distance) P-C4' energy: -66.981
flat angles C4'-P-C4' energy: -79.589
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -75.939
Dist. restrs. and SS energy: -210.600 (S_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: 424
Temperature: 1.200000
Total energy: -1148.724362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.724362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.924362 (E_RNA)
where:
Base-Base interactions energy: -650.005
where: short stacking energy: -270.565
Base-Backbone interact. energy: 1.845
local terms energy: -309.765065
where:
bonds (distance) C4'-P energy: -55.775
bonds (distance) P-C4' energy: -65.637
flat angles C4'-P-C4' energy: -69.802
flat angles P-C4'-P energy: -49.484
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1142.516213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.516213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.916213 (E_RNA)
where:
Base-Base interactions energy: -650.533
where: short stacking energy: -252.314
Base-Backbone interact. energy: -2.425
local terms energy: -278.959181
where:
bonds (distance) C4'-P energy: -57.401
bonds (distance) P-C4' energy: -59.228
flat angles C4'-P-C4' energy: -63.428
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -59.461
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1090.585631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.585631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.985631 (E_RNA)
where:
Base-Base interactions energy: -631.916
where: short stacking energy: -242.118
Base-Backbone interact. energy: -1.586
local terms energy: -255.483624
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -47.682
flat angles C4'-P-C4' energy: -64.739
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -52.066
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1078.390886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.390886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.590886 (E_RNA)
where:
Base-Base interactions energy: -611.563
where: short stacking energy: -240.444
Base-Backbone interact. energy: 4.063
local terms energy: -280.091427
where:
bonds (distance) C4'-P energy: -61.737
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -48.387
tors. eta vs tors. theta energy: -44.324
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1528.069628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.069628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.069628 (E_RNA)
where:
Base-Base interactions energy: -938.897
where: short stacking energy: -350.389
Base-Backbone interact. energy: -8.119
local terms energy: -374.054001
where:
bonds (distance) C4'-P energy: -68.378
bonds (distance) P-C4' energy: -80.910
flat angles C4'-P-C4' energy: -76.965
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -98.680
Dist. restrs. and SS energy: -207.000 (S_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: 425
Temperature: 0.950000
Total energy: -1422.274653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.274653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.074653 (E_RNA)
where:
Base-Base interactions energy: -843.187
where: short stacking energy: -334.224
Base-Backbone interact. energy: -3.813
local terms energy: -370.074694
where:
bonds (distance) C4'-P energy: -73.016
bonds (distance) P-C4' energy: -77.074
flat angles C4'-P-C4' energy: -76.400
flat angles P-C4'-P energy: -47.912
tors. eta vs tors. theta energy: -95.673
Dist. restrs. and SS energy: -205.200 (S_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: 425
Temperature: 1.000000
Total energy: -1394.368882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.368882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.568882 (E_RNA)
where:
Base-Base interactions energy: -840.037
where: short stacking energy: -325.262
Base-Backbone interact. energy: -3.927
local terms energy: -350.604323
where:
bonds (distance) C4'-P energy: -70.143
bonds (distance) P-C4' energy: -68.968
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -52.919
tors. eta vs tors. theta energy: -82.603
Dist. restrs. and SS energy: -199.800 (S_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: 425
Temperature: 1.050000
Total energy: -1368.288029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.288029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.088029 (E_RNA)
where:
Base-Base interactions energy: -831.396
where: short stacking energy: -331.971
Base-Backbone interact. energy: 2.525
local terms energy: -343.217311
where:
bonds (distance) C4'-P energy: -57.143
bonds (distance) P-C4' energy: -69.811
flat angles C4'-P-C4' energy: -78.503
flat angles P-C4'-P energy: -52.381
tors. eta vs tors. theta energy: -85.379
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1337.288158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.288158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.488158 (E_RNA)
where:
Base-Base interactions energy: -799.369
where: short stacking energy: -309.476
Base-Backbone interact. energy: -0.902
local terms energy: -337.217891
where:
bonds (distance) C4'-P energy: -68.855
bonds (distance) P-C4' energy: -79.906
flat angles C4'-P-C4' energy: -70.055
flat angles P-C4'-P energy: -49.559
tors. eta vs tors. theta energy: -68.842
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1288.113648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.113648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.113648 (E_RNA)
where:
Base-Base interactions energy: -746.040
where: short stacking energy: -303.804
Base-Backbone interact. energy: 0.454
local terms energy: -335.527765
where:
bonds (distance) C4'-P energy: -66.699
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -75.749
flat angles P-C4'-P energy: -51.307
tors. eta vs tors. theta energy: -79.198
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1170.128465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.128465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.528465 (E_RNA)
where:
Base-Base interactions energy: -657.833
where: short stacking energy: -251.034
Base-Backbone interact. energy: -2.215
local terms energy: -317.480660
where:
bonds (distance) C4'-P energy: -74.507
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -73.215
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -62.352
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1149.585495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.585495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.985495 (E_RNA)
where:
Base-Base interactions energy: -659.977
where: short stacking energy: -261.907
Base-Backbone interact. energy: -0.596
local terms energy: -269.412539
where:
bonds (distance) C4'-P energy: -60.433
bonds (distance) P-C4' energy: -65.890
flat angles C4'-P-C4' energy: -57.039
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -59.029
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. 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: -1053.861867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.861867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.661867 (E_RNA)
where:
Base-Base interactions energy: -601.425
where: short stacking energy: -240.559
Base-Backbone interact. energy: -0.755
local terms energy: -255.481389
where:
bonds (distance) C4'-P energy: -51.156
bonds (distance) P-C4' energy: -59.982
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -34.993
tors. eta vs tors. theta energy: -43.035
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1056.719820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.719820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.719820 (E_RNA)
where:
Base-Base interactions energy: -616.504
where: short stacking energy: -239.908
Base-Backbone interact. energy: 4.692
local terms energy: -246.907806
where:
bonds (distance) C4'-P energy: -60.455
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -47.648
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1525.417145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.417145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.217145 (E_RNA)
where:
Base-Base interactions energy: -957.722
where: short stacking energy: -350.098
Base-Backbone interact. energy: 0.316
local terms energy: -362.811295
where:
bonds (distance) C4'-P energy: -66.223
bonds (distance) P-C4' energy: -72.261
flat angles C4'-P-C4' energy: -68.395
flat angles P-C4'-P energy: -57.501
tors. eta vs tors. theta energy: -98.431
Dist. restrs. and SS energy: -205.200 (S_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: 426
Temperature: 0.950000
Total energy: -1441.143508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.143508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.343508 (E_RNA)
where:
Base-Base interactions energy: -876.484
where: short stacking energy: -349.666
Base-Backbone interact. energy: 5.658
local terms energy: -361.518282
where:
bonds (distance) C4'-P energy: -74.979
bonds (distance) P-C4' energy: -69.813
flat angles C4'-P-C4' energy: -79.151
flat angles P-C4'-P energy: -50.827
tors. eta vs tors. theta energy: -86.748
Dist. restrs. and SS energy: -208.800 (S_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: 426
Temperature: 1.000000
Total energy: -1403.366568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.366568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.566568 (E_RNA)
where:
Base-Base interactions energy: -830.862
where: short stacking energy: -327.548
Base-Backbone interact. energy: -1.792
local terms energy: -370.912200
where:
bonds (distance) C4'-P energy: -71.779
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -81.847
flat angles P-C4'-P energy: -56.738
tors. eta vs tors. theta energy: -84.912
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1334.101700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.101700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.301700 (E_RNA)
where:
Base-Base interactions energy: -812.445
where: short stacking energy: -314.257
Base-Backbone interact. energy: -0.628
local terms energy: -321.228429
where:
bonds (distance) C4'-P energy: -64.138
bonds (distance) P-C4' energy: -67.582
flat angles C4'-P-C4' energy: -72.774
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -78.293
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1330.139159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.139159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.939159 (E_RNA)
where:
Base-Base interactions energy: -774.753
where: short stacking energy: -302.152
Base-Backbone interact. energy: -4.297
local terms energy: -336.889799
where:
bonds (distance) C4'-P energy: -67.482
bonds (distance) P-C4' energy: -73.687
flat angles C4'-P-C4' energy: -73.352
flat angles P-C4'-P energy: -46.973
tors. eta vs tors. theta energy: -75.396
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1327.886589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.886589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.286589 (E_RNA)
where:
Base-Base interactions energy: -779.641
where: short stacking energy: -293.509
Base-Backbone interact. energy: -0.478
local terms energy: -337.166743
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -85.123
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -80.253
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1207.907460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.907460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.907460 (E_RNA)
where:
Base-Base interactions energy: -681.420
where: short stacking energy: -265.174
Base-Backbone interact. energy: -0.995
local terms energy: -309.492166
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -73.392
flat angles C4'-P-C4' energy: -74.379
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -61.093
Dist. restrs. and SS energy: -216.000 (S_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: 426
Temperature: 1.250000
Total energy: -1126.083962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.083962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.483962 (E_RNA)
where:
Base-Base interactions energy: -670.145
where: short stacking energy: -245.273
Base-Backbone interact. energy: -1.390
local terms energy: -252.948762
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -46.983
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1110.757546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.757546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.557546 (E_RNA)
where:
Base-Base interactions energy: -644.927
where: short stacking energy: -260.737
Base-Backbone interact. energy: 2.348
local terms energy: -271.978761
where:
bonds (distance) C4'-P energy: -54.712
bonds (distance) P-C4' energy: -69.026
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -62.310
Dist. restrs. and SS energy: -196.200 (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: 426
Temperature: 1.350000
Total energy: -1022.114091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.114091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.114091 (E_RNA)
where:
Base-Base interactions energy: -566.154
where: short stacking energy: -227.279
Base-Backbone interact. energy: -1.921
local terms energy: -256.039009
where:
bonds (distance) C4'-P energy: -37.483
bonds (distance) P-C4' energy: -63.430
flat angles C4'-P-C4' energy: -58.114
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -51.790
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1525.083796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.083796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.283796 (E_RNA)
where:
Base-Base interactions energy: -936.219
where: short stacking energy: -356.990
Base-Backbone interact. energy: -1.641
local terms energy: -378.423411
where:
bonds (distance) C4'-P energy: -66.600
bonds (distance) P-C4' energy: -74.356
flat angles C4'-P-C4' energy: -78.756
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -96.794
Dist. restrs. and SS energy: -208.800 (S_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: 427
Temperature: 0.950000
Total energy: -1426.695146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.695146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.895146 (E_RNA)
where:
Base-Base interactions energy: -839.845
where: short stacking energy: -339.074
Base-Backbone interact. energy: 0.876
local terms energy: -378.926906
where:
bonds (distance) C4'-P energy: -75.103
bonds (distance) P-C4' energy: -75.703
flat angles C4'-P-C4' energy: -80.791
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: -84.981
Dist. restrs. and SS energy: -208.800 (S_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: 427
Temperature: 1.000000
Total energy: -1408.888623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.888623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.888623 (E_RNA)
where:
Base-Base interactions energy: -833.060
where: short stacking energy: -322.247
Base-Backbone interact. energy: -1.400
local terms energy: -367.428534
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -63.277
flat angles C4'-P-C4' energy: -91.450
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -83.707
Dist. restrs. and SS energy: -207.000 (S_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: 427
Temperature: 1.050000
Total energy: -1335.232334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.232334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.632334 (E_RNA)
where:
Base-Base interactions energy: -797.580
where: short stacking energy: -316.223
Base-Backbone interact. energy: -2.291
local terms energy: -333.761038
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -79.898
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -79.417
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1315.322967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.322967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.722967 (E_RNA)
where:
Base-Base interactions energy: -779.097
where: short stacking energy: -299.170
Base-Backbone interact. energy: 0.465
local terms energy: -335.090508
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -60.429
flat angles C4'-P-C4' energy: -74.743
flat angles P-C4'-P energy: -44.881
tors. eta vs tors. theta energy: -82.519
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1296.548744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.548744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.148744 (E_RNA)
where:
Base-Base interactions energy: -761.039
where: short stacking energy: -316.127
Base-Backbone interact. energy: 0.696
local terms energy: -323.804939
where:
bonds (distance) C4'-P energy: -49.569
bonds (distance) P-C4' energy: -73.005
flat angles C4'-P-C4' energy: -72.325
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1226.889825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.889825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.089825 (E_RNA)
where:
Base-Base interactions energy: -713.280
where: short stacking energy: -292.893
Base-Backbone interact. energy: -0.020
local terms energy: -295.789713
where:
bonds (distance) C4'-P energy: -37.121
bonds (distance) P-C4' energy: -70.188
flat angles C4'-P-C4' energy: -65.272
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -80.557
Dist. restrs. and SS energy: -217.800 (S_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: 427
Temperature: 1.250000
Total energy: -1154.069371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.069371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.869371 (E_RNA)
where:
Base-Base interactions energy: -660.969
where: short stacking energy: -267.104
Base-Backbone interact. energy: -2.878
local terms energy: -285.021952
where:
bonds (distance) C4'-P energy: -54.435
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -62.893
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -62.046
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1119.830328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.830328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.630328 (E_RNA)
where:
Base-Base interactions energy: -661.441
where: short stacking energy: -245.194
Base-Backbone interact. energy: 0.886
local terms energy: -254.075560
where:
bonds (distance) C4'-P energy: -55.154
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -48.119
Dist. restrs. and SS energy: -205.200 (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: 427
Temperature: 1.350000
Total energy: -1047.494543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.494543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.294543 (E_RNA)
where:
Base-Base interactions energy: -601.655
where: short stacking energy: -235.801
Base-Backbone interact. energy: -1.233
local terms energy: -248.406397
where:
bonds (distance) C4'-P energy: -55.539
bonds (distance) P-C4' energy: -64.020
flat angles C4'-P-C4' energy: -50.409
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -41.657
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1539.551231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.551231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.551231 (E_RNA)
where:
Base-Base interactions energy: -957.883
where: short stacking energy: -345.607
Base-Backbone interact. energy: -2.956
local terms energy: -371.711905
where:
bonds (distance) C4'-P energy: -73.792
bonds (distance) P-C4' energy: -65.839
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -102.010
Dist. restrs. and SS energy: -207.000 (S_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: 428
Temperature: 0.950000
Total energy: -1433.490055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.490055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.490055 (E_RNA)
where:
Base-Base interactions energy: -851.692
where: short stacking energy: -345.023
Base-Backbone interact. energy: -1.855
local terms energy: -372.942744
where:
bonds (distance) C4'-P energy: -78.755
bonds (distance) P-C4' energy: -72.611
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: -93.055
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1401.887744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.887744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.687744 (E_RNA)
where:
Base-Base interactions energy: -848.797
where: short stacking energy: -346.977
Base-Backbone interact. energy: -0.523
local terms energy: -347.367567
where:
bonds (distance) C4'-P energy: -60.605
bonds (distance) P-C4' energy: -65.359
flat angles C4'-P-C4' energy: -80.455
flat angles P-C4'-P energy: -57.664
tors. eta vs tors. theta energy: -83.285
Dist. restrs. and SS energy: -205.200 (S_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: 428
Temperature: 1.050000
Total energy: -1320.946557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.946557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.946557 (E_RNA)
where:
Base-Base interactions energy: -773.171
where: short stacking energy: -324.865
Base-Backbone interact. energy: -2.321
local terms energy: -347.454840
where:
bonds (distance) C4'-P energy: -64.037
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -88.655
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1327.744016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.744016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.744016 (E_RNA)
where:
Base-Base interactions energy: -803.496
where: short stacking energy: -318.356
Base-Backbone interact. energy: 2.150
local terms energy: -310.398503
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -63.010
flat angles C4'-P-C4' energy: -67.918
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -75.279
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1271.281548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.281548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.281548 (E_RNA)
where:
Base-Base interactions energy: -740.116
where: short stacking energy: -273.051
Base-Backbone interact. energy: -1.732
local terms energy: -322.434026
where:
bonds (distance) C4'-P energy: -62.698
bonds (distance) P-C4' energy: -64.603
flat angles C4'-P-C4' energy: -72.177
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -85.011
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1226.960435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.960435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.760435 (E_RNA)
where:
Base-Base interactions energy: -699.163
where: short stacking energy: -296.122
Base-Backbone interact. energy: -1.685
local terms energy: -311.911803
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -60.463
flat angles C4'-P-C4' energy: -73.706
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -78.543
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1108.008907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.008907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.608907 (E_RNA)
where:
Base-Base interactions energy: -639.428
where: short stacking energy: -237.799
Base-Backbone interact. energy: -0.713
local terms energy: -273.467863
where:
bonds (distance) C4'-P energy: -59.754
bonds (distance) P-C4' energy: -62.229
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -36.476
tors. eta vs tors. theta energy: -59.716
Dist. restrs. and SS energy: -194.400 (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: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1134.112937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.112937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.712937 (E_RNA)
where:
Base-Base interactions energy: -653.290
where: short stacking energy: -250.458
Base-Backbone interact. energy: -0.032
local terms energy: -286.391563
where:
bonds (distance) C4'-P energy: -57.152
bonds (distance) P-C4' energy: -68.367
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -50.131
Dist. restrs. and SS energy: -194.400 (S_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: 428
Temperature: 1.350000
Total energy: -996.047391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.047391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.247391 (E_RNA)
where:
Base-Base interactions energy: -556.326
where: short stacking energy: -208.049
Base-Backbone interact. energy: -2.191
local terms energy: -237.730633
where:
bonds (distance) C4'-P energy: -54.560
bonds (distance) P-C4' energy: -56.799
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -40.043
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1541.293124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.293124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.293124 (E_RNA)
where:
Base-Base interactions energy: -950.210
where: short stacking energy: -339.503
Base-Backbone interact. energy: -4.131
local terms energy: -379.951602
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -72.290
flat angles P-C4'-P energy: -61.054
tors. eta vs tors. theta energy: -100.863
Dist. restrs. and SS energy: -207.000 (S_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: 429
Temperature: 0.950000
Total energy: -1436.239373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.239373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.039373 (E_RNA)
where:
Base-Base interactions energy: -859.773
where: short stacking energy: -352.312
Base-Backbone interact. energy: -1.978
local terms energy: -369.288605
where:
bonds (distance) C4'-P energy: -72.191
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -78.271
flat angles P-C4'-P energy: -55.841
tors. eta vs tors. theta energy: -94.248
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1389.549056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.549056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.749056 (E_RNA)
where:
Base-Base interactions energy: -838.546
where: short stacking energy: -330.735
Base-Backbone interact. energy: -1.551
local terms energy: -349.652358
where:
bonds (distance) C4'-P energy: -63.430
bonds (distance) P-C4' energy: -75.433
flat angles C4'-P-C4' energy: -78.028
flat angles P-C4'-P energy: -51.577
tors. eta vs tors. theta energy: -81.185
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1348.664858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.664858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.064858 (E_RNA)
where:
Base-Base interactions energy: -812.706
where: short stacking energy: -327.845
Base-Backbone interact. energy: -2.903
local terms energy: -331.455712
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -60.711
flat angles C4'-P-C4' energy: -78.188
flat angles P-C4'-P energy: -53.051
tors. eta vs tors. theta energy: -82.112
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1322.669421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.669421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.269421 (E_RNA)
where:
Base-Base interactions energy: -791.351
where: short stacking energy: -305.264
Base-Backbone interact. energy: -0.223
local terms energy: -318.695709
where:
bonds (distance) C4'-P energy: -63.481
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -71.442
flat angles P-C4'-P energy: -44.361
tors. eta vs tors. theta energy: -71.413
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1292.325929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.325929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.525929 (E_RNA)
where:
Base-Base interactions energy: -760.132
where: short stacking energy: -296.601
Base-Backbone interact. energy: 0.783
local terms energy: -333.176584
where:
bonds (distance) C4'-P energy: -65.565
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -71.082
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -77.789
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1211.595990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.595990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.795990 (E_RNA)
where:
Base-Base interactions energy: -704.620
where: short stacking energy: -287.917
Base-Backbone interact. energy: 0.815
local terms energy: -289.991478
where:
bonds (distance) C4'-P energy: -49.059
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -63.963
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -70.975
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1115.362144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.362144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.362144 (E_RNA)
where:
Base-Base interactions energy: -628.703
where: short stacking energy: -254.720
Base-Backbone interact. energy: -2.405
local terms energy: -286.253955
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -67.121
flat angles C4'-P-C4' energy: -54.190
flat angles P-C4'-P energy: -48.715
tors. eta vs tors. theta energy: -56.801
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1125.752885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.752885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.352885 (E_RNA)
where:
Base-Base interactions energy: -647.928
where: short stacking energy: -250.337
Base-Backbone interact. energy: -2.867
local terms energy: -280.558527
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -59.958
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -64.223
Dist. restrs. and SS energy: -194.400 (S_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: 429
Temperature: 1.350000
Total energy: -998.965585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.965585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.965585 (E_RNA)
where:
Base-Base interactions energy: -566.421
where: short stacking energy: -216.503
Base-Backbone interact. energy: 3.376
local terms energy: -237.920960
where:
bonds (distance) C4'-P energy: -41.424
bonds (distance) P-C4' energy: -58.746
flat angles C4'-P-C4' energy: -61.798
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -49.535
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1531.066790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.066790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.066790 (E_RNA)
where:
Base-Base interactions energy: -935.972
where: short stacking energy: -346.130
Base-Backbone interact. energy: -4.626
local terms energy: -383.469436
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -76.257
flat angles C4'-P-C4' energy: -84.358
flat angles P-C4'-P energy: -60.680
tors. eta vs tors. theta energy: -95.817
Dist. restrs. and SS energy: -207.000 (S_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: 430
Temperature: 0.950000
Total energy: -1409.131242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.131242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.331242 (E_RNA)
where:
Base-Base interactions energy: -849.213
where: short stacking energy: -342.278
Base-Backbone interact. energy: -3.417
local terms energy: -347.701327
where:
bonds (distance) C4'-P energy: -66.956
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -77.918
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -88.640
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1412.136794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.136794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.136794 (E_RNA)
where:
Base-Base interactions energy: -831.750
where: short stacking energy: -332.465
Base-Backbone interact. energy: 4.236
local terms energy: -377.622774
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -82.747
flat angles C4'-P-C4' energy: -82.091
flat angles P-C4'-P energy: -51.527
tors. eta vs tors. theta energy: -90.131
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1347.987100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.987100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.787100 (E_RNA)
where:
Base-Base interactions energy: -808.475
where: short stacking energy: -309.441
Base-Backbone interact. energy: 0.605
local terms energy: -343.916743
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -65.536
flat angles C4'-P-C4' energy: -75.785
flat angles P-C4'-P energy: -59.711
tors. eta vs tors. theta energy: -78.984
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1330.147857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.147857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.547857 (E_RNA)
where:
Base-Base interactions energy: -793.656
where: short stacking energy: -310.887
Base-Backbone interact. energy: -1.380
local terms energy: -333.511682
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -72.476
flat angles C4'-P-C4' energy: -70.688
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -82.823
Dist. restrs. and SS energy: -201.600 (S_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: -1287.846436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.846436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.046436 (E_RNA)
where:
Base-Base interactions energy: -801.163
where: short stacking energy: -302.576
Base-Backbone interact. energy: 3.269
local terms energy: -281.152089
where:
bonds (distance) C4'-P energy: -59.295
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -71.469
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -67.031
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1212.592192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.592192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.592192 (E_RNA)
where:
Base-Base interactions energy: -697.133
where: short stacking energy: -294.075
Base-Backbone interact. energy: 0.056
local terms energy: -308.514853
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -72.446
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -78.363
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1153.569461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.569461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.969461 (E_RNA)
where:
Base-Base interactions energy: -662.133
where: short stacking energy: -269.688
Base-Backbone interact. energy: -0.543
local terms energy: -298.293391
where:
bonds (distance) C4'-P energy: -55.486
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -74.020
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -71.493
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1071.967564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.967564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.167564 (E_RNA)
where:
Base-Base interactions energy: -622.222
where: short stacking energy: -251.610
Base-Backbone interact. energy: -0.525
local terms energy: -258.420520
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -57.843
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -45.684
tors. eta vs tors. theta energy: -52.220
Dist. restrs. and SS energy: -190.800 (S_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: -1004.566392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.566392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.966392 (E_RNA)
where:
Base-Base interactions energy: -570.466
where: short stacking energy: -214.967
Base-Backbone interact. energy: -0.306
local terms energy: -250.194163
where:
bonds (distance) C4'-P energy: -52.534
bonds (distance) P-C4' energy: -70.977
flat angles C4'-P-C4' energy: -50.676
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -36.130
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1531.385311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.385311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.585311 (E_RNA)
where:
Base-Base interactions energy: -935.599
where: short stacking energy: -352.790
Base-Backbone interact. energy: 2.186
local terms energy: -389.172839
where:
bonds (distance) C4'-P energy: -78.680
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -80.833
flat angles P-C4'-P energy: -60.168
tors. eta vs tors. theta energy: -94.946
Dist. restrs. and SS energy: -208.800 (S_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: 431
Temperature: 0.950000
Total energy: -1465.286577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.286577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.886577 (E_RNA)
where:
Base-Base interactions energy: -885.711
where: short stacking energy: -363.700
Base-Backbone interact. energy: -2.310
local terms energy: -373.865148
where:
bonds (distance) C4'-P energy: -71.136
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -70.419
flat angles P-C4'-P energy: -62.682
tors. eta vs tors. theta energy: -97.434
Dist. restrs. and SS energy: -203.400 (S_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: 431
Temperature: 1.000000
Total energy: -1406.577080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.577080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.177080 (E_RNA)
where:
Base-Base interactions energy: -838.832
where: short stacking energy: -338.465
Base-Backbone interact. energy: -2.777
local terms energy: -361.567964
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -77.894
flat angles C4'-P-C4' energy: -75.586
flat angles P-C4'-P energy: -49.178
tors. eta vs tors. theta energy: -93.101
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1370.069174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.069174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.269174 (E_RNA)
where:
Base-Base interactions energy: -834.822
where: short stacking energy: -317.239
Base-Backbone interact. energy: -1.828
local terms energy: -342.618912
where:
bonds (distance) C4'-P energy: -66.650
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -76.856
flat angles P-C4'-P energy: -47.266
tors. eta vs tors. theta energy: -89.205
Dist. restrs. and SS energy: -190.800 (S_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: 431
Temperature: 1.100000
Total energy: -1321.935561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.935561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.335561 (E_RNA)
where:
Base-Base interactions energy: -774.840
where: short stacking energy: -296.661
Base-Backbone interact. energy: 0.727
local terms energy: -346.223028
where:
bonds (distance) C4'-P energy: -65.251
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -81.996
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -80.788
Dist. restrs. and SS energy: -201.600 (S_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: 431
Temperature: 1.150000
Total energy: -1294.147886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.147886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.747886 (E_RNA)
where:
Base-Base interactions energy: -776.894
where: short stacking energy: -300.556
Base-Backbone interact. energy: -0.834
local terms energy: -304.020044
where:
bonds (distance) C4'-P energy: -54.968
bonds (distance) P-C4' energy: -62.975
flat angles C4'-P-C4' energy: -64.279
flat angles P-C4'-P energy: -53.460
tors. eta vs tors. theta energy: -68.338
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1190.297209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.297209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.697209 (E_RNA)
where:
Base-Base interactions energy: -675.428
where: short stacking energy: -269.110
Base-Backbone interact. energy: 1.460
local terms energy: -305.728954
where:
bonds (distance) C4'-P energy: -65.801
bonds (distance) P-C4' energy: -63.432
flat angles C4'-P-C4' energy: -69.397
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -70.319
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1165.970019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.970019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.170019 (E_RNA)
where:
Base-Base interactions energy: -665.870
where: short stacking energy: -271.152
Base-Backbone interact. energy: -1.497
local terms energy: -298.803386
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -64.272
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -69.090
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1135.600062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.600062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.400062 (E_RNA)
where:
Base-Base interactions energy: -669.419
where: short stacking energy: -266.647
Base-Backbone interact. energy: 5.693
local terms energy: -257.673518
where:
bonds (distance) C4'-P energy: -61.864
bonds (distance) P-C4' energy: -61.088
flat angles C4'-P-C4' energy: -59.970
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -58.374
Dist. restrs. and SS energy: -214.200 (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: 431
Temperature: 1.350000
Total energy: -973.207064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.207064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.607064 (E_RNA)
where:
Base-Base interactions energy: -551.566
where: short stacking energy: -213.484
Base-Backbone interact. energy: 3.455
local terms energy: -232.495542
where:
bonds (distance) C4'-P energy: -55.926
bonds (distance) P-C4' energy: -58.097
flat angles C4'-P-C4' energy: -58.423
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -37.445
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1537.793438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.793438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.993438 (E_RNA)
where:
Base-Base interactions energy: -961.269
where: short stacking energy: -345.723
Base-Backbone interact. energy: 0.298
local terms energy: -368.022911
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -79.021
flat angles C4'-P-C4' energy: -81.414
flat angles P-C4'-P energy: -52.930
tors. eta vs tors. theta energy: -94.646
Dist. restrs. and SS energy: -208.800 (S_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: 432
Temperature: 0.950000
Total energy: -1465.597060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.597060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.597060 (E_RNA)
where:
Base-Base interactions energy: -889.797
where: short stacking energy: -359.708
Base-Backbone interact. energy: -1.264
local terms energy: -376.535750
where:
bonds (distance) C4'-P energy: -68.518
bonds (distance) P-C4' energy: -82.126
flat angles C4'-P-C4' energy: -77.575
flat angles P-C4'-P energy: -55.957
tors. eta vs tors. theta energy: -92.360
Dist. restrs. and SS energy: -198.000 (S_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: 432
Temperature: 1.000000
Total energy: -1397.562478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.562478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.162478 (E_RNA)
where:
Base-Base interactions energy: -839.221
where: short stacking energy: -319.124
Base-Backbone interact. energy: -3.176
local terms energy: -351.765469
where:
bonds (distance) C4'-P energy: -70.819
bonds (distance) P-C4' energy: -75.731
flat angles C4'-P-C4' energy: -78.856
flat angles P-C4'-P energy: -45.642
tors. eta vs tors. theta energy: -80.717
Dist. restrs. and SS energy: -203.400 (S_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: 432
Temperature: 1.050000
Total energy: -1386.243779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.243779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.843779 (E_RNA)
where:
Base-Base interactions energy: -837.303
where: short stacking energy: -328.588
Base-Backbone interact. energy: -0.659
local terms energy: -353.881444
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -81.871
flat angles P-C4'-P energy: -46.970
tors. eta vs tors. theta energy: -90.784
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1302.037363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.037363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.637363 (E_RNA)
where:
Base-Base interactions energy: -788.751
where: short stacking energy: -302.154
Base-Backbone interact. energy: 0.810
local terms energy: -301.696705
where:
bonds (distance) C4'-P energy: -67.893
bonds (distance) P-C4' energy: -59.462
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -71.164
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1299.849525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.849525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.049525 (E_RNA)
where:
Base-Base interactions energy: -763.427
where: short stacking energy: -303.001
Base-Backbone interact. energy: -2.145
local terms energy: -334.477253
where:
bonds (distance) C4'-P energy: -62.252
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -79.969
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -82.725
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1181.604845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.604845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.004845 (E_RNA)
where:
Base-Base interactions energy: -679.928
where: short stacking energy: -253.948
Base-Backbone interact. energy: 2.240
local terms energy: -293.316827
where:
bonds (distance) C4'-P energy: -57.615
bonds (distance) P-C4' energy: -62.062
flat angles C4'-P-C4' energy: -72.796
flat angles P-C4'-P energy: -40.612
tors. eta vs tors. theta energy: -60.231
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1145.790149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.790149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.390149 (E_RNA)
where:
Base-Base interactions energy: -649.856
where: short stacking energy: -253.660
Base-Backbone interact. energy: -2.559
local terms energy: -298.975324
where:
bonds (distance) C4'-P energy: -63.180
bonds (distance) P-C4' energy: -71.826
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -60.109
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1038.319287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.319287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.319287 (E_RNA)
where:
Base-Base interactions energy: -583.240
where: short stacking energy: -221.286
Base-Backbone interact. energy: 2.215
local terms energy: -259.294824
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -63.468
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -46.598
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1142.528657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.528657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.728657 (E_RNA)
where:
Base-Base interactions energy: -661.720
where: short stacking energy: -249.879
Base-Backbone interact. energy: 3.882
local terms energy: -275.890676
where:
bonds (distance) C4'-P energy: -60.500
bonds (distance) P-C4' energy: -47.873
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -49.555
tors. eta vs tors. theta energy: -59.151
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1536.012922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.012922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.012922 (E_RNA)
where:
Base-Base interactions energy: -970.639
where: short stacking energy: -356.362
Base-Backbone interact. energy: -0.487
local terms energy: -357.886404
where:
bonds (distance) C4'-P energy: -70.799
bonds (distance) P-C4' energy: -68.258
flat angles C4'-P-C4' energy: -79.674
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -95.447
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1444.400225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.400225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.000225 (E_RNA)
where:
Base-Base interactions energy: -877.846
where: short stacking energy: -345.561
Base-Backbone interact. energy: -0.604
local terms energy: -362.549940
where:
bonds (distance) C4'-P energy: -69.687
bonds (distance) P-C4' energy: -73.860
flat angles C4'-P-C4' energy: -71.049
flat angles P-C4'-P energy: -51.591
tors. eta vs tors. theta energy: -96.363
Dist. restrs. and SS energy: -203.400 (S_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: 433
Temperature: 1.000000
Total energy: -1395.844030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.844030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.044030 (E_RNA)
where:
Base-Base interactions energy: -834.464
where: short stacking energy: -327.586
Base-Backbone interact. energy: 0.949
local terms energy: -353.528949
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -70.238
flat angles C4'-P-C4' energy: -80.266
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: -85.635
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1360.825857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.825857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.425857 (E_RNA)
where:
Base-Base interactions energy: -828.393
where: short stacking energy: -308.468
Base-Backbone interact. energy: 5.157
local terms energy: -325.190313
where:
bonds (distance) C4'-P energy: -68.672
bonds (distance) P-C4' energy: -63.059
flat angles C4'-P-C4' energy: -75.225
flat angles P-C4'-P energy: -48.533
tors. eta vs tors. theta energy: -69.702
Dist. restrs. and SS energy: -212.400 (S_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: 433
Temperature: 1.100000
Total energy: -1343.814132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.814132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.814132 (E_RNA)
where:
Base-Base interactions energy: -800.854
where: short stacking energy: -298.359
Base-Backbone interact. energy: 0.030
local terms energy: -344.989867
where:
bonds (distance) C4'-P energy: -70.490
bonds (distance) P-C4' energy: -72.587
flat angles C4'-P-C4' energy: -77.551
flat angles P-C4'-P energy: -51.452
tors. eta vs tors. theta energy: -72.910
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1267.474421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.474421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.474421 (E_RNA)
where:
Base-Base interactions energy: -747.498
where: short stacking energy: -302.871
Base-Backbone interact. energy: -1.868
local terms energy: -320.107722
where:
bonds (distance) C4'-P energy: -65.430
bonds (distance) P-C4' energy: -56.938
flat angles C4'-P-C4' energy: -72.422
flat angles P-C4'-P energy: -53.956
tors. eta vs tors. theta energy: -71.361
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1202.917208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.917208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.917208 (E_RNA)
where:
Base-Base interactions energy: -680.438
where: short stacking energy: -271.881
Base-Backbone interact. energy: -2.402
local terms energy: -313.077089
where:
bonds (distance) C4'-P energy: -65.227
bonds (distance) P-C4' energy: -63.855
flat angles C4'-P-C4' energy: -68.852
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -73.278
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1168.290384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.290384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.290384 (E_RNA)
where:
Base-Base interactions energy: -686.999
where: short stacking energy: -274.595
Base-Backbone interact. energy: 2.183
local terms energy: -285.473796
where:
bonds (distance) C4'-P energy: -60.303
bonds (distance) P-C4' energy: -51.581
flat angles C4'-P-C4' energy: -64.946
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -70.802
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1059.044245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.044245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.244245 (E_RNA)
where:
Base-Base interactions energy: -600.796
where: short stacking energy: -242.600
Base-Backbone interact. energy: 8.568
local terms energy: -267.016359
where:
bonds (distance) C4'-P energy: -48.556
bonds (distance) P-C4' energy: -60.190
flat angles C4'-P-C4' energy: -70.052
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -48.275
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1100.302333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.302333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.102333 (E_RNA)
where:
Base-Base interactions energy: -618.062
where: short stacking energy: -236.380
Base-Backbone interact. energy: -1.471
local terms energy: -266.568530
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -36.679
tors. eta vs tors. theta energy: -50.110
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1531.088270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.088270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.088270 (E_RNA)
where:
Base-Base interactions energy: -939.784
where: short stacking energy: -351.244
Base-Backbone interact. energy: -4.959
local terms energy: -379.345304
where:
bonds (distance) C4'-P energy: -75.361
bonds (distance) P-C4' energy: -71.472
flat angles C4'-P-C4' energy: -84.025
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: -97.102
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1466.723884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.723884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.723884 (E_RNA)
where:
Base-Base interactions energy: -906.486
where: short stacking energy: -359.041
Base-Backbone interact. energy: -2.354
local terms energy: -350.884118
where:
bonds (distance) C4'-P energy: -60.288
bonds (distance) P-C4' energy: -68.959
flat angles C4'-P-C4' energy: -76.511
flat angles P-C4'-P energy: -48.437
tors. eta vs tors. theta energy: -96.688
Dist. restrs. and SS energy: -207.000 (S_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: 434
Temperature: 1.000000
Total energy: -1396.604701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.604701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.204701 (E_RNA)
where:
Base-Base interactions energy: -834.997
where: short stacking energy: -326.667
Base-Backbone interact. energy: 1.438
local terms energy: -359.645552
where:
bonds (distance) C4'-P energy: -67.326
bonds (distance) P-C4' energy: -77.972
flat angles C4'-P-C4' energy: -75.631
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -85.861
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1344.192232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.192232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.392232 (E_RNA)
where:
Base-Base interactions energy: -803.885
where: short stacking energy: -312.556
Base-Backbone interact. energy: -3.541
local terms energy: -318.966792
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -69.918
flat angles C4'-P-C4' energy: -62.313
flat angles P-C4'-P energy: -48.479
tors. eta vs tors. theta energy: -73.691
Dist. restrs. and SS energy: -217.800 (S_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: -1349.522768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.522768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.722768 (E_RNA)
where:
Base-Base interactions energy: -827.516
where: short stacking energy: -305.835
Base-Backbone interact. energy: -2.265
local terms energy: -328.941738
where:
bonds (distance) C4'-P energy: -71.198
bonds (distance) P-C4' energy: -69.383
flat angles C4'-P-C4' energy: -70.703
flat angles P-C4'-P energy: -35.676
tors. eta vs tors. theta energy: -81.982
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. 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: -1283.556772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.556772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.556772 (E_RNA)
where:
Base-Base interactions energy: -746.565
where: short stacking energy: -299.762
Base-Backbone interact. energy: -2.715
local terms energy: -336.276770
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -79.132
flat angles C4'-P-C4' energy: -71.589
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -84.909
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1122.539485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.539485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.539485 (E_RNA)
where:
Base-Base interactions energy: -635.549
where: short stacking energy: -253.735
Base-Backbone interact. energy: -0.076
local terms energy: -288.914338
where:
bonds (distance) C4'-P energy: -64.145
bonds (distance) P-C4' energy: -54.543
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -62.077
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1179.970228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.970228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.770228 (E_RNA)
where:
Base-Base interactions energy: -698.269
where: short stacking energy: -268.438
Base-Backbone interact. energy: 0.060
local terms energy: -276.561808
where:
bonds (distance) C4'-P energy: -64.300
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -54.239
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -70.310
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1126.400690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.400690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.000690 (E_RNA)
where:
Base-Base interactions energy: -649.904
where: short stacking energy: -262.115
Base-Backbone interact. energy: 0.654
local terms energy: -273.750461
where:
bonds (distance) C4'-P energy: -61.089
bonds (distance) P-C4' energy: -67.664
flat angles C4'-P-C4' energy: -58.165
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -58.402
Dist. restrs. and SS energy: -203.400 (S_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: 434
Temperature: 1.350000
Total energy: -1003.479738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.479738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.479738 (E_RNA)
where:
Base-Base interactions energy: -550.987
where: short stacking energy: -211.797
Base-Backbone interact. energy: -2.438
local terms energy: -252.055216
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -57.171
flat angles C4'-P-C4' energy: -48.488
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -44.593
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1531.632380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.632380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.032380 (E_RNA)
where:
Base-Base interactions energy: -956.136
where: short stacking energy: -367.462
Base-Backbone interact. energy: -4.484
local terms energy: -369.412703
where:
bonds (distance) C4'-P energy: -55.894
bonds (distance) P-C4' energy: -80.508
flat angles C4'-P-C4' energy: -80.021
flat angles P-C4'-P energy: -55.401
tors. eta vs tors. theta energy: -97.588
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1472.784000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.784000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.184000 (E_RNA)
where:
Base-Base interactions energy: -889.030
where: short stacking energy: -349.925
Base-Backbone interact. energy: -1.301
local terms energy: -380.853418
where:
bonds (distance) C4'-P energy: -69.995
bonds (distance) P-C4' energy: -79.619
flat angles C4'-P-C4' energy: -81.027
flat angles P-C4'-P energy: -57.370
tors. eta vs tors. theta energy: -92.843
Dist. restrs. and SS energy: -201.600 (S_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: 435
Temperature: 1.000000
Total energy: -1399.766156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.766156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.966156 (E_RNA)
where:
Base-Base interactions energy: -845.153
where: short stacking energy: -354.175
Base-Backbone interact. energy: -2.016
local terms energy: -343.797517
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -71.120
flat angles C4'-P-C4' energy: -75.102
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: -97.360
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1369.198715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.198715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.198715 (E_RNA)
where:
Base-Base interactions energy: -817.197
where: short stacking energy: -318.910
Base-Backbone interact. energy: -4.560
local terms energy: -331.442367
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -72.247
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -54.185
tors. eta vs tors. theta energy: -72.200
Dist. restrs. and SS energy: -216.000 (S_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: -1332.934895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.934895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.134895 (E_RNA)
where:
Base-Base interactions energy: -812.845
where: short stacking energy: -317.666
Base-Backbone interact. energy: -0.001
local terms energy: -320.289012
where:
bonds (distance) C4'-P energy: -56.471
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -69.063
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -82.939
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1277.806603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.806603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.006603 (E_RNA)
where:
Base-Base interactions energy: -772.809
where: short stacking energy: -296.491
Base-Backbone interact. energy: 6.817
local terms energy: -312.014602
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -63.908
flat angles C4'-P-C4' energy: -66.783
flat angles P-C4'-P energy: -53.119
tors. eta vs tors. theta energy: -84.463
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1149.227475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.227475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.627475 (E_RNA)
where:
Base-Base interactions energy: -642.137
where: short stacking energy: -262.896
Base-Backbone interact. energy: -1.957
local terms energy: -303.533250
where:
bonds (distance) C4'-P energy: -62.745
bonds (distance) P-C4' energy: -67.532
flat angles C4'-P-C4' energy: -71.348
flat angles P-C4'-P energy: -44.432
tors. eta vs tors. theta energy: -57.476
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1195.411018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.411018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.211018 (E_RNA)
where:
Base-Base interactions energy: -686.590
where: short stacking energy: -269.759
Base-Backbone interact. energy: -1.171
local terms energy: -293.450274
where:
bonds (distance) C4'-P energy: -56.997
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -69.638
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1138.608123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.608123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.608123 (E_RNA)
where:
Base-Base interactions energy: -659.288
where: short stacking energy: -249.115
Base-Backbone interact. energy: 3.341
local terms energy: -275.660226
where:
bonds (distance) C4'-P energy: -60.192
bonds (distance) P-C4' energy: -51.962
flat angles C4'-P-C4' energy: -73.772
flat angles P-C4'-P energy: -39.283
tors. eta vs tors. theta energy: -50.451
Dist. restrs. and SS energy: -207.000 (S_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: 435
Temperature: 1.350000
Total energy: -989.809937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.809937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.409937 (E_RNA)
where:
Base-Base interactions energy: -571.448
where: short stacking energy: -218.579
Base-Backbone interact. energy: 1.873
local terms energy: -225.834814
where:
bonds (distance) C4'-P energy: -48.338
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -63.953
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -35.029
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1529.688288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.688288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.488288 (E_RNA)
where:
Base-Base interactions energy: -941.870
where: short stacking energy: -345.675
Base-Backbone interact. energy: -3.278
local terms energy: -379.339319
where:
bonds (distance) C4'-P energy: -74.013
bonds (distance) P-C4' energy: -76.059
flat angles C4'-P-C4' energy: -76.253
flat angles P-C4'-P energy: -63.482
tors. eta vs tors. theta energy: -89.533
Dist. restrs. and SS energy: -205.200 (S_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: 436
Temperature: 0.950000
Total energy: -1472.463477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.463477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.263477 (E_RNA)
where:
Base-Base interactions energy: -914.107
where: short stacking energy: -356.023
Base-Backbone interact. energy: -2.295
local terms energy: -350.860716
where:
bonds (distance) C4'-P energy: -69.364
bonds (distance) P-C4' energy: -62.845
flat angles C4'-P-C4' energy: -75.278
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -95.098
Dist. restrs. and SS energy: -205.200 (S_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: 436
Temperature: 1.000000
Total energy: -1390.058503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.058503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.058503 (E_RNA)
where:
Base-Base interactions energy: -833.630
where: short stacking energy: -328.626
Base-Backbone interact. energy: -1.469
local terms energy: -347.959397
where:
bonds (distance) C4'-P energy: -71.998
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -74.096
flat angles P-C4'-P energy: -46.919
tors. eta vs tors. theta energy: -85.843
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1355.522156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.522156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.322156 (E_RNA)
where:
Base-Base interactions energy: -795.268
where: short stacking energy: -288.911
Base-Backbone interact. energy: -0.730
local terms energy: -345.323699
where:
bonds (distance) C4'-P energy: -66.530
bonds (distance) P-C4' energy: -74.388
flat angles C4'-P-C4' energy: -81.945
flat angles P-C4'-P energy: -54.385
tors. eta vs tors. theta energy: -68.075
Dist. restrs. and SS energy: -214.200 (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: 436
Temperature: 1.100000
Total energy: -1352.648153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.648153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.848153 (E_RNA)
where:
Base-Base interactions energy: -831.576
where: short stacking energy: -315.741
Base-Backbone interact. energy: 1.149
local terms energy: -322.420759
where:
bonds (distance) C4'-P energy: -58.323
bonds (distance) P-C4' energy: -58.212
flat angles C4'-P-C4' energy: -78.916
flat angles P-C4'-P energy: -54.901
tors. eta vs tors. theta energy: -72.069
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1281.812921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.812921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.612921 (E_RNA)
where:
Base-Base interactions energy: -768.750
where: short stacking energy: -306.779
Base-Backbone interact. energy: -0.590
local terms energy: -316.273109
where:
bonds (distance) C4'-P energy: -62.460
bonds (distance) P-C4' energy: -59.770
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -77.704
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1189.338292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.338292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.338292 (E_RNA)
where:
Base-Base interactions energy: -675.300
where: short stacking energy: -271.203
Base-Backbone interact. energy: -0.053
local terms energy: -306.985707
where:
bonds (distance) C4'-P energy: -64.295
bonds (distance) P-C4' energy: -56.790
flat angles C4'-P-C4' energy: -67.571
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -78.675
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1145.468364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.468364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.268364 (E_RNA)
where:
Base-Base interactions energy: -653.121
where: short stacking energy: -272.947
Base-Backbone interact. energy: -3.201
local terms energy: -292.945576
where:
bonds (distance) C4'-P energy: -60.644
bonds (distance) P-C4' energy: -55.635
flat angles C4'-P-C4' energy: -66.835
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -64.652
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1130.604414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.604414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.804414 (E_RNA)
where:
Base-Base interactions energy: -664.854
where: short stacking energy: -265.724
Base-Backbone interact. energy: 0.463
local terms energy: -266.413446
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -45.924
flat angles C4'-P-C4' energy: -63.074
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -64.684
Dist. restrs. and SS energy: -199.800 (S_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: 436
Temperature: 1.350000
Total energy: -1018.860527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.860527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.860527 (E_RNA)
where:
Base-Base interactions energy: -586.913
where: short stacking energy: -212.094
Base-Backbone interact. energy: 3.320
local terms energy: -237.267946
where:
bonds (distance) C4'-P energy: -45.908
bonds (distance) P-C4' energy: -51.226
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -43.953
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1518.683922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.683922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.683922 (E_RNA)
where:
Base-Base interactions energy: -925.073
where: short stacking energy: -340.197
Base-Backbone interact. energy: -3.446
local terms energy: -383.164665
where:
bonds (distance) C4'-P energy: -74.296
bonds (distance) P-C4' energy: -76.402
flat angles C4'-P-C4' energy: -80.473
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -92.888
Dist. restrs. and SS energy: -207.000 (S_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: 437
Temperature: 0.950000
Total energy: -1475.112532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.112532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.112532 (E_RNA)
where:
Base-Base interactions energy: -892.445
where: short stacking energy: -335.982
Base-Backbone interact. energy: -3.282
local terms energy: -372.386237
where:
bonds (distance) C4'-P energy: -77.107
bonds (distance) P-C4' energy: -65.311
flat angles C4'-P-C4' energy: -81.890
flat angles P-C4'-P energy: -52.816
tors. eta vs tors. theta energy: -95.263
Dist. restrs. and SS energy: -207.000 (S_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: 437
Temperature: 1.000000
Total energy: -1399.392788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.392788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.792788 (E_RNA)
where:
Base-Base interactions energy: -851.681
where: short stacking energy: -334.758
Base-Backbone interact. energy: -1.532
local terms energy: -344.580060
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -65.857
flat angles C4'-P-C4' energy: -82.483
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -88.733
Dist. restrs. and SS energy: -201.600 (S_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: -1365.851912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.851912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.251912 (E_RNA)
where:
Base-Base interactions energy: -833.738
where: short stacking energy: -337.418
Base-Backbone interact. energy: -1.821
local terms energy: -328.693167
where:
bonds (distance) C4'-P energy: -63.598
bonds (distance) P-C4' energy: -56.141
flat angles C4'-P-C4' energy: -78.486
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -78.499
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1305.855934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.855934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.055934 (E_RNA)
where:
Base-Base interactions energy: -776.017
where: short stacking energy: -285.877
Base-Backbone interact. energy: -0.414
local terms energy: -320.624970
where:
bonds (distance) C4'-P energy: -66.774
bonds (distance) P-C4' energy: -79.768
flat angles C4'-P-C4' energy: -63.518
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: -208.800 (S_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: 437
Temperature: 1.150000
Total energy: -1250.198433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.198433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.998433 (E_RNA)
where:
Base-Base interactions energy: -702.403
where: short stacking energy: -291.448
Base-Backbone interact. energy: -2.427
local terms energy: -340.168718
where:
bonds (distance) C4'-P energy: -61.742
bonds (distance) P-C4' energy: -81.016
flat angles C4'-P-C4' energy: -69.502
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -84.198
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1279.230678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.230678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.230678 (E_RNA)
where:
Base-Base interactions energy: -763.070
where: short stacking energy: -303.968
Base-Backbone interact. energy: 1.275
local terms energy: -319.435314
where:
bonds (distance) C4'-P energy: -62.844
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -54.375
tors. eta vs tors. theta energy: -81.337
Dist. restrs. and SS energy: -198.000 (S_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: 437
Temperature: 1.250000
Total energy: -1174.542098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.542098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.142098 (E_RNA)
where:
Base-Base interactions energy: -690.389
where: short stacking energy: -282.561
Base-Backbone interact. energy: -1.867
local terms energy: -278.886440
where:
bonds (distance) C4'-P energy: -59.741
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -66.344
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -60.576
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1108.816700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.816700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.816700 (E_RNA)
where:
Base-Base interactions energy: -615.150
where: short stacking energy: -246.398
Base-Backbone interact. energy: 0.286
local terms energy: -295.952495
where:
bonds (distance) C4'-P energy: -66.997
bonds (distance) P-C4' energy: -57.542
flat angles C4'-P-C4' energy: -68.769
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -62.727
Dist. restrs. and SS energy: -198.000 (S_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: 437
Temperature: 1.350000
Total energy: -1030.658462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.658462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.658462 (E_RNA)
where:
Base-Base interactions energy: -597.167
where: short stacking energy: -228.260
Base-Backbone interact. energy: -3.206
local terms energy: -223.285326
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -49.781
flat angles C4'-P-C4' energy: -46.034
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -53.474
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1542.128571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.128571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.928571 (E_RNA)
where:
Base-Base interactions energy: -949.247
where: short stacking energy: -343.953
Base-Backbone interact. energy: -1.925
local terms energy: -385.757427
where:
bonds (distance) C4'-P energy: -76.903
bonds (distance) P-C4' energy: -77.188
flat angles C4'-P-C4' energy: -87.279
flat angles P-C4'-P energy: -49.806
tors. eta vs tors. theta energy: -94.582
Dist. restrs. and SS energy: -205.200 (S_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: 438
Temperature: 0.950000
Total energy: -1464.356829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.356829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.556829 (E_RNA)
where:
Base-Base interactions energy: -894.308
where: short stacking energy: -347.787
Base-Backbone interact. energy: -0.415
local terms energy: -369.833371
where:
bonds (distance) C4'-P energy: -73.361
bonds (distance) P-C4' energy: -68.000
flat angles C4'-P-C4' energy: -73.611
flat angles P-C4'-P energy: -61.496
tors. eta vs tors. theta energy: -93.366
Dist. restrs. and SS energy: -199.800 (S_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: 438
Temperature: 1.000000
Total energy: -1400.731860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.731860 (E_RNA)
where:
Base-Base interactions energy: -837.677
where: short stacking energy: -337.080
Base-Backbone interact. energy: 0.071
local terms energy: -356.125988
where:
bonds (distance) C4'-P energy: -64.964
bonds (distance) P-C4' energy: -67.265
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -51.077
tors. eta vs tors. theta energy: -93.181
Dist. restrs. and SS energy: -207.000 (S_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: -1377.622106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.622106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.022106 (E_RNA)
where:
Base-Base interactions energy: -820.875
where: short stacking energy: -330.321
Base-Backbone interact. energy: -0.248
local terms energy: -354.899058
where:
bonds (distance) C4'-P energy: -72.717
bonds (distance) P-C4' energy: -63.441
flat angles C4'-P-C4' energy: -81.857
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -89.282
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1291.158635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.158635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.758635 (E_RNA)
where:
Base-Base interactions energy: -778.096
where: short stacking energy: -287.675
Base-Backbone interact. energy: -3.777
local terms energy: -296.885998
where:
bonds (distance) C4'-P energy: -57.491
bonds (distance) P-C4' energy: -69.642
flat angles C4'-P-C4' energy: -69.887
flat angles P-C4'-P energy: -38.000
tors. eta vs tors. theta energy: -61.867
Dist. restrs. and SS energy: -212.400 (S_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: 438
Temperature: 1.150000
Total energy: -1235.955058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.955058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.955058 (E_RNA)
where:
Base-Base interactions energy: -718.746
where: short stacking energy: -311.251
Base-Backbone interact. energy: 0.496
local terms energy: -310.705011
where:
bonds (distance) C4'-P energy: -42.251
bonds (distance) P-C4' energy: -63.620
flat angles C4'-P-C4' energy: -77.294
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -88.305
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1245.738824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.738824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.938824 (E_RNA)
where:
Base-Base interactions energy: -724.536
where: short stacking energy: -268.290
Base-Backbone interact. energy: -1.615
local terms energy: -319.787749
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -64.467
flat angles C4'-P-C4' energy: -77.887
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -73.407
Dist. restrs. and SS energy: -199.800 (S_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: 438
Temperature: 1.250000
Total energy: -1136.681152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.681152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.881152 (E_RNA)
where:
Base-Base interactions energy: -651.471
where: short stacking energy: -249.016
Base-Backbone interact. energy: 0.472
local terms energy: -285.882799
where:
bonds (distance) C4'-P energy: -56.153
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -59.147
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -997.091419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.091419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.091419 (E_RNA)
where:
Base-Base interactions energy: -569.228
where: short stacking energy: -230.148
Base-Backbone interact. energy: 4.306
local terms energy: -243.169367
where:
bonds (distance) C4'-P energy: -61.231
bonds (distance) P-C4' energy: -59.642
flat angles C4'-P-C4' energy: -56.581
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -47.607
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1072.159485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.159485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.759485 (E_RNA)
where:
Base-Base interactions energy: -599.947
where: short stacking energy: -237.579
Base-Backbone interact. energy: 0.272
local terms energy: -278.084033
where:
bonds (distance) C4'-P energy: -48.644
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -61.338
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -60.695
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1528.642671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.642671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.642671 (E_RNA)
where:
Base-Base interactions energy: -946.985
where: short stacking energy: -358.711
Base-Backbone interact. energy: -0.831
local terms energy: -373.826035
where:
bonds (distance) C4'-P energy: -77.484
bonds (distance) P-C4' energy: -73.281
flat angles C4'-P-C4' energy: -74.286
flat angles P-C4'-P energy: -58.153
tors. eta vs tors. theta energy: -90.622
Dist. restrs. and SS energy: -207.000 (S_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: 439
Temperature: 0.950000
Total energy: -1455.036381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.036381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.836381 (E_RNA)
where:
Base-Base interactions energy: -873.582
where: short stacking energy: -338.071
Base-Backbone interact. energy: -0.455
local terms energy: -375.798806
where:
bonds (distance) C4'-P energy: -72.354
bonds (distance) P-C4' energy: -74.978
flat angles C4'-P-C4' energy: -77.006
flat angles P-C4'-P energy: -55.772
tors. eta vs tors. theta energy: -95.688
Dist. restrs. and SS energy: -205.200 (S_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: -1400.164009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.164009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.964009 (E_RNA)
where:
Base-Base interactions energy: -839.229
where: short stacking energy: -343.807
Base-Backbone interact. energy: -1.555
local terms energy: -354.179765
where:
bonds (distance) C4'-P energy: -70.077
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -76.425
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -98.383
Dist. restrs. and SS energy: -205.200 (S_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: -1368.403865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.403865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.003865 (E_RNA)
where:
Base-Base interactions energy: -853.845
where: short stacking energy: -329.433
Base-Backbone interact. energy: -2.574
local terms energy: -317.584642
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -78.538
flat angles C4'-P-C4' energy: -63.115
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -80.169
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1313.448215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.448215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.848215 (E_RNA)
where:
Base-Base interactions energy: -765.103
where: short stacking energy: -295.629
Base-Backbone interact. energy: -2.740
local terms energy: -335.004982
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -75.173
flat angles C4'-P-C4' energy: -80.504
flat angles P-C4'-P energy: -49.003
tors. eta vs tors. theta energy: -76.336
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1308.750560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.750560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.150560 (E_RNA)
where:
Base-Base interactions energy: -774.975
where: short stacking energy: -314.234
Base-Backbone interact. energy: -1.110
local terms energy: -331.066075
where:
bonds (distance) C4'-P energy: -66.973
bonds (distance) P-C4' energy: -67.214
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -90.267
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1211.870934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.870934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.070934 (E_RNA)
where:
Base-Base interactions energy: -695.193
where: short stacking energy: -300.320
Base-Backbone interact. energy: -2.302
local terms energy: -305.575766
where:
bonds (distance) C4'-P energy: -60.656
bonds (distance) P-C4' energy: -61.394
flat angles C4'-P-C4' energy: -67.580
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: -81.420
Dist. restrs. and SS energy: -208.800 (S_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: 439
Temperature: 1.250000
Total energy: -1128.914004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.914004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.714004 (E_RNA)
where:
Base-Base interactions energy: -635.461
where: short stacking energy: -252.926
Base-Backbone interact. energy: -1.658
local terms energy: -286.594689
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -68.221
flat angles C4'-P-C4' energy: -64.884
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -56.625
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1039.706304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.706304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.306304 (E_RNA)
where:
Base-Base interactions energy: -587.138
where: short stacking energy: -232.518
Base-Backbone interact. energy: -3.823
local terms energy: -254.345227
where:
bonds (distance) C4'-P energy: -42.606
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -68.188
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -49.416
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1074.273657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.273657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.473657 (E_RNA)
where:
Base-Base interactions energy: -594.874
where: short stacking energy: -216.943
Base-Backbone interact. energy: -0.972
local terms energy: -287.627568
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -61.962
flat angles C4'-P-C4' energy: -66.585
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -51.636
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1510.545604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.545604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.745604 (E_RNA)
where:
Base-Base interactions energy: -933.414
where: short stacking energy: -346.529
Base-Backbone interact. energy: -3.062
local terms energy: -365.269468
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -54.195
tors. eta vs tors. theta energy: -88.068
Dist. restrs. and SS energy: -208.800 (S_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: 440
Temperature: 0.950000
Total energy: -1460.561171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.561171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.361171 (E_RNA)
where:
Base-Base interactions energy: -886.509
where: short stacking energy: -357.174
Base-Backbone interact. energy: 0.666
local terms energy: -369.517839
where:
bonds (distance) C4'-P energy: -73.505
bonds (distance) P-C4' energy: -65.394
flat angles C4'-P-C4' energy: -70.333
flat angles P-C4'-P energy: -66.331
tors. eta vs tors. theta energy: -93.955
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1396.427605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.427605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.627605 (E_RNA)
where:
Base-Base interactions energy: -851.986
where: short stacking energy: -328.607
Base-Backbone interact. energy: 0.445
local terms energy: -345.086779
where:
bonds (distance) C4'-P energy: -66.915
bonds (distance) P-C4' energy: -76.396
flat angles C4'-P-C4' energy: -77.364
flat angles P-C4'-P energy: -50.430
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: -199.800 (S_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: 440
Temperature: 1.050000
Total energy: -1365.167403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.167403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.767403 (E_RNA)
where:
Base-Base interactions energy: -821.281
where: short stacking energy: -313.321
Base-Backbone interact. energy: -1.501
local terms energy: -338.985418
where:
bonds (distance) C4'-P energy: -60.069
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -77.022
flat angles P-C4'-P energy: -60.946
tors. eta vs tors. theta energy: -83.966
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1292.956923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.956923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.356923 (E_RNA)
where:
Base-Base interactions energy: -767.744
where: short stacking energy: -287.105
Base-Backbone interact. energy: -2.235
local terms energy: -312.377655
where:
bonds (distance) C4'-P energy: -54.719
bonds (distance) P-C4' energy: -67.315
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -71.946
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1283.447936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.447936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.847936 (E_RNA)
where:
Base-Base interactions energy: -740.838
where: short stacking energy: -305.529
Base-Backbone interact. energy: 0.392
local terms energy: -341.401549
where:
bonds (distance) C4'-P energy: -63.775
bonds (distance) P-C4' energy: -62.244
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -54.698
tors. eta vs tors. theta energy: -85.035
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1207.164871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.164871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.764871 (E_RNA)
where:
Base-Base interactions energy: -702.478
where: short stacking energy: -292.787
Base-Backbone interact. energy: 0.806
local terms energy: -302.092556
where:
bonds (distance) C4'-P energy: -66.215
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -74.047
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -76.377
Dist. restrs. and SS energy: -203.400 (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: 440
Temperature: 1.250000
Total energy: -1167.454419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.454419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.054419 (E_RNA)
where:
Base-Base interactions energy: -661.272
where: short stacking energy: -286.776
Base-Backbone interact. energy: -1.978
local terms energy: -309.805049
where:
bonds (distance) C4'-P energy: -59.821
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -66.520
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -78.215
Dist. restrs. and SS energy: -194.400 (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: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1095.760988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.760988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.360988 (E_RNA)
where:
Base-Base interactions energy: -629.294
where: short stacking energy: -231.500
Base-Backbone interact. energy: -0.916
local terms energy: -271.150494
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -54.382
flat angles C4'-P-C4' energy: -74.012
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -56.299
Dist. restrs. and SS energy: -194.400 (S_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: -1043.326747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.926747 (E_RNA)
where:
Base-Base interactions energy: -574.124
where: short stacking energy: -219.968
Base-Backbone interact. energy: 0.937
local terms energy: -275.739488
where:
bonds (distance) C4'-P energy: -56.476
bonds (distance) P-C4' energy: -59.835
flat angles C4'-P-C4' energy: -60.492
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -58.907
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1521.814423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.814423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.014423 (E_RNA)
where:
Base-Base interactions energy: -951.956
where: short stacking energy: -349.766
Base-Backbone interact. energy: 3.679
local terms energy: -364.737605
where:
bonds (distance) C4'-P energy: -58.786
bonds (distance) P-C4' energy: -81.068
flat angles C4'-P-C4' energy: -83.886
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -92.294
Dist. restrs. and SS energy: -208.800 (S_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: 441
Temperature: 0.950000
Total energy: -1460.384318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.384318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.384318 (E_RNA)
where:
Base-Base interactions energy: -885.839
where: short stacking energy: -362.907
Base-Backbone interact. energy: 2.896
local terms energy: -370.441002
where:
bonds (distance) C4'-P energy: -65.063
bonds (distance) P-C4' energy: -74.707
flat angles C4'-P-C4' energy: -76.343
flat angles P-C4'-P energy: -50.897
tors. eta vs tors. theta energy: -103.430
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1408.990394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.990394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.190394 (E_RNA)
where:
Base-Base interactions energy: -842.619
where: short stacking energy: -329.787
Base-Backbone interact. energy: -1.640
local terms energy: -364.931011
where:
bonds (distance) C4'-P energy: -70.018
bonds (distance) P-C4' energy: -68.436
flat angles C4'-P-C4' energy: -85.823
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -88.509
Dist. restrs. and SS energy: -199.800 (S_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: 441
Temperature: 1.050000
Total energy: -1380.543184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.543184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.543184 (E_RNA)
where:
Base-Base interactions energy: -832.361
where: short stacking energy: -326.589
Base-Backbone interact. energy: -1.375
local terms energy: -339.807787
where:
bonds (distance) C4'-P energy: -67.127
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -72.045
flat angles P-C4'-P energy: -45.039
tors. eta vs tors. theta energy: -91.611
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1298.977657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.977657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.977657 (E_RNA)
where:
Base-Base interactions energy: -766.962
where: short stacking energy: -316.167
Base-Backbone interact. energy: -1.564
local terms energy: -323.451263
where:
bonds (distance) C4'-P energy: -62.908
bonds (distance) P-C4' energy: -68.264
flat angles C4'-P-C4' energy: -69.091
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -79.144
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1283.087590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.087590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.087590 (E_RNA)
where:
Base-Base interactions energy: -764.193
where: short stacking energy: -310.930
Base-Backbone interact. energy: -2.497
local terms energy: -318.396953
where:
bonds (distance) C4'-P energy: -57.224
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -71.230
flat angles P-C4'-P energy: -45.927
tors. eta vs tors. theta energy: -81.877
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1214.416733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.416733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.416733 (E_RNA)
where:
Base-Base interactions energy: -708.865
where: short stacking energy: -302.733
Base-Backbone interact. energy: -2.012
local terms energy: -296.539861
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -71.201
flat angles P-C4'-P energy: -49.119
tors. eta vs tors. theta energy: -74.781
Dist. restrs. and SS energy: -207.000 (S_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: 441
Temperature: 1.250000
Total energy: -1146.547508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.547508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.947508 (E_RNA)
where:
Base-Base interactions energy: -673.105
where: short stacking energy: -272.169
Base-Backbone interact. energy: -1.129
local terms energy: -270.713619
where:
bonds (distance) C4'-P energy: -55.378
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -56.239
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1136.984638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.984638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.784638 (E_RNA)
where:
Base-Base interactions energy: -658.605
where: short stacking energy: -252.481
Base-Backbone interact. energy: 6.435
local terms energy: -288.615504
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -67.197
Dist. restrs. and SS energy: -196.200 (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: 441
Temperature: 1.350000
Total energy: -999.919677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.919677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.919677 (E_RNA)
where:
Base-Base interactions energy: -555.677
where: short stacking energy: -196.596
Base-Backbone interact. energy: 1.435
local terms energy: -256.677923
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -50.274
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -46.815
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1528.537703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.537703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.737703 (E_RNA)
where:
Base-Base interactions energy: -938.118
where: short stacking energy: -351.070
Base-Backbone interact. energy: -0.537
local terms energy: -381.082578
where:
bonds (distance) C4'-P energy: -80.852
bonds (distance) P-C4' energy: -79.082
flat angles C4'-P-C4' energy: -74.992
flat angles P-C4'-P energy: -57.010
tors. eta vs tors. theta energy: -89.146
Dist. restrs. and SS energy: -208.800 (S_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: 442
Temperature: 0.950000
Total energy: -1461.208979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.208979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.208979 (E_RNA)
where:
Base-Base interactions energy: -884.779
where: short stacking energy: -359.324
Base-Backbone interact. energy: -0.980
local terms energy: -368.449990
where:
bonds (distance) C4'-P energy: -75.944
bonds (distance) P-C4' energy: -58.709
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -52.196
tors. eta vs tors. theta energy: -105.219
Dist. restrs. and SS energy: -207.000 (S_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: 442
Temperature: 1.000000
Total energy: -1389.176874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.176874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.976874 (E_RNA)
where:
Base-Base interactions energy: -818.221
where: short stacking energy: -314.813
Base-Backbone interact. energy: -2.106
local terms energy: -363.650144
where:
bonds (distance) C4'-P energy: -74.217
bonds (distance) P-C4' energy: -71.955
flat angles C4'-P-C4' energy: -85.244
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -85.875
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1396.494140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.494140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.894140 (E_RNA)
where:
Base-Base interactions energy: -870.791
where: short stacking energy: -336.359
Base-Backbone interact. energy: -1.404
local terms energy: -322.699767
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -61.760
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -50.084
tors. eta vs tors. theta energy: -73.220
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1301.892544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.892544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.892544 (E_RNA)
where:
Base-Base interactions energy: -781.111
where: short stacking energy: -297.113
Base-Backbone interact. energy: -0.789
local terms energy: -312.992614
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -60.024
flat angles C4'-P-C4' energy: -74.513
flat angles P-C4'-P energy: -44.121
tors. eta vs tors. theta energy: -66.999
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1270.887894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.887894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.687894 (E_RNA)
where:
Base-Base interactions energy: -748.275
where: short stacking energy: -301.627
Base-Backbone interact. energy: -0.494
local terms energy: -325.919115
where:
bonds (distance) C4'-P energy: -68.997
bonds (distance) P-C4' energy: -68.669
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -45.884
tors. eta vs tors. theta energy: -74.840
Dist. restrs. and SS energy: -196.200 (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: 442
Temperature: 1.200000
Total energy: -1236.704022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.704022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.704022 (E_RNA)
where:
Base-Base interactions energy: -710.572
where: short stacking energy: -273.796
Base-Backbone interact. energy: -0.612
local terms energy: -309.519991
where:
bonds (distance) C4'-P energy: -73.381
bonds (distance) P-C4' energy: -62.305
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -61.227
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1178.013013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.013013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.013013 (E_RNA)
where:
Base-Base interactions energy: -660.387
where: short stacking energy: -262.686
Base-Backbone interact. energy: -1.691
local terms energy: -299.935259
where:
bonds (distance) C4'-P energy: -63.948
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -37.397
tors. eta vs tors. theta energy: -74.042
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1167.092363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.092363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.292363 (E_RNA)
where:
Base-Base interactions energy: -688.503
where: short stacking energy: -266.278
Base-Backbone interact. energy: -2.104
local terms energy: -276.684767
where:
bonds (distance) C4'-P energy: -56.238
bonds (distance) P-C4' energy: -47.867
flat angles C4'-P-C4' energy: -70.143
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -62.003
Dist. restrs. and SS energy: -199.800 (S_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: -988.217482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.217482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.817482 (E_RNA)
where:
Base-Base interactions energy: -541.530
where: short stacking energy: -200.950
Base-Backbone interact. energy: 0.670
local terms energy: -261.957684
where:
bonds (distance) C4'-P energy: -50.426
bonds (distance) P-C4' energy: -65.795
flat angles C4'-P-C4' energy: -43.008
flat angles P-C4'-P energy: -43.174
tors. eta vs tors. theta energy: -59.555
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1519.522444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.522444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.522444 (E_RNA)
where:
Base-Base interactions energy: -932.270
where: short stacking energy: -357.486
Base-Backbone interact. energy: -3.039
local terms energy: -377.212871
where:
bonds (distance) C4'-P energy: -67.075
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -88.371
flat angles P-C4'-P energy: -62.078
tors. eta vs tors. theta energy: -90.779
Dist. restrs. and SS energy: -207.000 (S_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: 443
Temperature: 0.950000
Total energy: -1412.995354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.995354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.195354 (E_RNA)
where:
Base-Base interactions energy: -858.342
where: short stacking energy: -341.672
Base-Backbone interact. energy: -0.766
local terms energy: -345.087539
where:
bonds (distance) C4'-P energy: -56.261
bonds (distance) P-C4' energy: -77.543
flat angles C4'-P-C4' energy: -77.356
flat angles P-C4'-P energy: -50.576
tors. eta vs tors. theta energy: -83.351
Dist. restrs. and SS energy: -208.800 (S_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: 443
Temperature: 1.000000
Total energy: -1409.621552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.621552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.021552 (E_RNA)
where:
Base-Base interactions energy: -844.262
where: short stacking energy: -346.513
Base-Backbone interact. energy: 0.457
local terms energy: -364.215998
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -79.606
flat angles P-C4'-P energy: -52.743
tors. eta vs tors. theta energy: -96.282
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1393.051019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.051019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.251019 (E_RNA)
where:
Base-Base interactions energy: -868.692
where: short stacking energy: -321.723
Base-Backbone interact. energy: -2.613
local terms energy: -321.946311
where:
bonds (distance) C4'-P energy: -58.685
bonds (distance) P-C4' energy: -52.988
flat angles C4'-P-C4' energy: -80.325
flat angles P-C4'-P energy: -49.506
tors. eta vs tors. theta energy: -80.442
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1346.603324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.603324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.203324 (E_RNA)
where:
Base-Base interactions energy: -816.181
where: short stacking energy: -316.314
Base-Backbone interact. energy: 1.174
local terms energy: -319.195964
where:
bonds (distance) C4'-P energy: -71.547
bonds (distance) P-C4' energy: -72.802
flat angles C4'-P-C4' energy: -70.220
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -66.974
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1280.506860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.506860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.706860 (E_RNA)
where:
Base-Base interactions energy: -744.664
where: short stacking energy: -317.351
Base-Backbone interact. energy: -2.587
local terms energy: -324.455696
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -72.143
flat angles C4'-P-C4' energy: -55.177
flat angles P-C4'-P energy: -47.304
tors. eta vs tors. theta energy: -92.815
Dist. restrs. and SS energy: -208.800 (S_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: 443
Temperature: 1.200000
Total energy: -1213.540222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.540222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.340222 (E_RNA)
where:
Base-Base interactions energy: -692.342
where: short stacking energy: -267.013
Base-Backbone interact. energy: -1.695
local terms energy: -305.303692
where:
bonds (distance) C4'-P energy: -62.830
bonds (distance) P-C4' energy: -69.609
flat angles C4'-P-C4' energy: -63.999
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -61.897
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1181.164839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.164839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.164839 (E_RNA)
where:
Base-Base interactions energy: -672.245
where: short stacking energy: -260.633
Base-Backbone interact. energy: -1.885
local terms energy: -309.034823
where:
bonds (distance) C4'-P energy: -54.732
bonds (distance) P-C4' energy: -69.090
flat angles C4'-P-C4' energy: -62.972
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -69.953
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1116.286931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.286931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.886931 (E_RNA)
where:
Base-Base interactions energy: -630.528
where: short stacking energy: -245.420
Base-Backbone interact. energy: 0.795
local terms energy: -283.154741
where:
bonds (distance) C4'-P energy: -64.326
bonds (distance) P-C4' energy: -52.067
flat angles C4'-P-C4' energy: -66.743
flat angles P-C4'-P energy: -40.797
tors. eta vs tors. theta energy: -59.222
Dist. restrs. and SS energy: -203.400 (S_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: -989.745103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.745103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.545103 (E_RNA)
where:
Base-Base interactions energy: -538.494
where: short stacking energy: -219.998
Base-Backbone interact. energy: 2.874
local terms energy: -266.925345
where:
bonds (distance) C4'-P energy: -40.236
bonds (distance) P-C4' energy: -66.044
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -48.903
tors. eta vs tors. theta energy: -51.899
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1529.172532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.172532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.772532 (E_RNA)
where:
Base-Base interactions energy: -956.373
where: short stacking energy: -351.739
Base-Backbone interact. energy: -1.394
local terms energy: -368.005326
where:
bonds (distance) C4'-P energy: -60.470
bonds (distance) P-C4' energy: -72.831
flat angles C4'-P-C4' energy: -82.811
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -96.499
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1443.037201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.037201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.837201 (E_RNA)
where:
Base-Base interactions energy: -852.393
where: short stacking energy: -333.107
Base-Backbone interact. energy: -2.296
local terms energy: -383.147624
where:
bonds (distance) C4'-P energy: -75.502
bonds (distance) P-C4' energy: -73.840
flat angles C4'-P-C4' energy: -92.443
flat angles P-C4'-P energy: -49.995
tors. eta vs tors. theta energy: -91.367
Dist. restrs. and SS energy: -205.200 (S_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: 444
Temperature: 1.000000
Total energy: -1408.576048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.576048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.576048 (E_RNA)
where:
Base-Base interactions energy: -874.941
where: short stacking energy: -339.315
Base-Backbone interact. energy: -1.936
local terms energy: -333.699092
where:
bonds (distance) C4'-P energy: -55.598
bonds (distance) P-C4' energy: -64.919
flat angles C4'-P-C4' energy: -80.866
flat angles P-C4'-P energy: -55.011
tors. eta vs tors. theta energy: -77.305
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1388.745795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.745795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.745795 (E_RNA)
where:
Base-Base interactions energy: -820.484
where: short stacking energy: -340.423
Base-Backbone interact. energy: -2.040
local terms energy: -359.221830
where:
bonds (distance) C4'-P energy: -59.566
bonds (distance) P-C4' energy: -68.798
flat angles C4'-P-C4' energy: -71.080
flat angles P-C4'-P energy: -66.359
tors. eta vs tors. theta energy: -93.420
Dist. restrs. and SS energy: -207.000 (S_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: 444
Temperature: 1.100000
Total energy: -1328.655821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.655821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.055821 (E_RNA)
where:
Base-Base interactions energy: -790.625
where: short stacking energy: -326.262
Base-Backbone interact. energy: -2.840
local terms energy: -324.590768
where:
bonds (distance) C4'-P energy: -54.553
bonds (distance) P-C4' energy: -70.433
flat angles C4'-P-C4' energy: -69.114
flat angles P-C4'-P energy: -48.799
tors. eta vs tors. theta energy: -81.692
Dist. restrs. and SS energy: -210.600 (S_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: 444
Temperature: 1.150000
Total energy: -1256.192320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.192320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.192320 (E_RNA)
where:
Base-Base interactions energy: -738.281
where: short stacking energy: -273.921
Base-Backbone interact. energy: -1.059
local terms energy: -309.852379
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -76.719
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -43.778
tors. eta vs tors. theta energy: -71.183
Dist. restrs. and SS energy: -207.000 (S_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: 444
Temperature: 1.200000
Total energy: -1207.237824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.237824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.637824 (E_RNA)
where:
Base-Base interactions energy: -687.774
where: short stacking energy: -258.737
Base-Backbone interact. energy: -1.251
local terms energy: -307.613212
where:
bonds (distance) C4'-P energy: -72.456
bonds (distance) P-C4' energy: -59.972
flat angles C4'-P-C4' energy: -74.715
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -61.412
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1146.291427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.291427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.091427 (E_RNA)
where:
Base-Base interactions energy: -666.372
where: short stacking energy: -274.553
Base-Backbone interact. energy: -2.791
local terms energy: -280.928379
where:
bonds (distance) C4'-P energy: -69.502
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -68.213
flat angles P-C4'-P energy: -26.220
tors. eta vs tors. theta energy: -59.955
Dist. restrs. and SS energy: -196.200 (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: 444
Temperature: 1.300000
Total energy: -1127.793450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.793450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.593450 (E_RNA)
where:
Base-Base interactions energy: -641.977
where: short stacking energy: -255.740
Base-Backbone interact. energy: 0.530
local terms energy: -281.146620
where:
bonds (distance) C4'-P energy: -57.121
bonds (distance) P-C4' energy: -67.737
flat angles C4'-P-C4' energy: -59.982
flat angles P-C4'-P energy: -32.816
tors. eta vs tors. theta energy: -63.492
Dist. restrs. and SS energy: -205.200 (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: 444
Temperature: 1.350000
Total energy: -982.126760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.126760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.726760 (E_RNA)
where:
Base-Base interactions energy: -544.168
where: short stacking energy: -215.810
Base-Backbone interact. energy: -2.510
local terms energy: -250.048904
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -55.094
flat angles C4'-P-C4' energy: -68.171
flat angles P-C4'-P energy: -27.942
tors. eta vs tors. theta energy: -41.137
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1523.316428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.316428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.516428 (E_RNA)
where:
Base-Base interactions energy: -936.790
where: short stacking energy: -358.504
Base-Backbone interact. energy: -0.944
local terms energy: -376.782506
where:
bonds (distance) C4'-P energy: -70.285
bonds (distance) P-C4' energy: -78.222
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -61.762
tors. eta vs tors. theta energy: -91.489
Dist. restrs. and SS energy: -208.800 (S_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: -1449.938097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.938097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.938097 (E_RNA)
where:
Base-Base interactions energy: -868.141
where: short stacking energy: -352.271
Base-Backbone interact. energy: -1.603
local terms energy: -373.194364
where:
bonds (distance) C4'-P energy: -72.068
bonds (distance) P-C4' energy: -71.563
flat angles C4'-P-C4' energy: -82.640
flat angles P-C4'-P energy: -55.238
tors. eta vs tors. theta energy: -91.686
Dist. restrs. and SS energy: -207.000 (S_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: 445
Temperature: 1.000000
Total energy: -1412.299982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.299982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.899982 (E_RNA)
where:
Base-Base interactions energy: -865.401
where: short stacking energy: -327.780
Base-Backbone interact. energy: -2.128
local terms energy: -350.370728
where:
bonds (distance) C4'-P energy: -69.164
bonds (distance) P-C4' energy: -74.283
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -57.546
tors. eta vs tors. theta energy: -82.973
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1406.077044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.077044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.477044 (E_RNA)
where:
Base-Base interactions energy: -842.517
where: short stacking energy: -345.881
Base-Backbone interact. energy: -1.588
local terms energy: -360.372717
where:
bonds (distance) C4'-P energy: -57.820
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -70.225
flat angles P-C4'-P energy: -60.537
tors. eta vs tors. theta energy: -99.915
Dist. restrs. and SS energy: -201.600 (S_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: 445
Temperature: 1.100000
Total energy: -1336.494881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.494881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.894881 (E_RNA)
where:
Base-Base interactions energy: -790.702
where: short stacking energy: -340.456
Base-Backbone interact. energy: 2.445
local terms energy: -337.638221
where:
bonds (distance) C4'-P energy: -64.296
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -76.478
flat angles P-C4'-P energy: -40.146
tors. eta vs tors. theta energy: -91.884
Dist. restrs. and SS energy: -210.600 (S_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: 445
Temperature: 1.150000
Total energy: -1263.273581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.273581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.073581 (E_RNA)
where:
Base-Base interactions energy: -758.430
where: short stacking energy: -277.273
Base-Backbone interact. energy: 5.205
local terms energy: -295.848889
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -67.865
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -50.183
Dist. restrs. and SS energy: -214.200 (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: 445
Temperature: 1.200000
Total energy: -1187.607476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.607476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.807476 (E_RNA)
where:
Base-Base interactions energy: -689.736
where: short stacking energy: -272.981
Base-Backbone interact. energy: 0.776
local terms energy: -289.847241
where:
bonds (distance) C4'-P energy: -70.024
bonds (distance) P-C4' energy: -53.507
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -64.603
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1182.666575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.666575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.666575 (E_RNA)
where:
Base-Base interactions energy: -670.609
where: short stacking energy: -263.885
Base-Backbone interact. energy: 0.540
local terms energy: -314.597457
where:
bonds (distance) C4'-P energy: -63.098
bonds (distance) P-C4' energy: -74.292
flat angles C4'-P-C4' energy: -75.618
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -58.783
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1138.521697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.521697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.921697 (E_RNA)
where:
Base-Base interactions energy: -673.518
where: short stacking energy: -260.007
Base-Backbone interact. energy: -1.217
local terms energy: -262.186366
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -57.910
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -59.971
Dist. restrs. and SS energy: -201.600 (S_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: -1010.270388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.270388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.470388 (E_RNA)
where:
Base-Base interactions energy: -548.981
where: short stacking energy: -209.216
Base-Backbone interact. energy: -3.557
local terms energy: -275.932654
where:
bonds (distance) C4'-P energy: -56.579
bonds (distance) P-C4' energy: -67.467
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -41.735
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1524.195067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.195067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.995067 (E_RNA)
where:
Base-Base interactions energy: -924.937
where: short stacking energy: -359.986
Base-Backbone interact. energy: -4.269
local terms energy: -389.789266
where:
bonds (distance) C4'-P energy: -76.994
bonds (distance) P-C4' energy: -78.087
flat angles C4'-P-C4' energy: -82.882
flat angles P-C4'-P energy: -57.364
tors. eta vs tors. theta energy: -94.462
Dist. restrs. and SS energy: -205.200 (S_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: -1421.920461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.920461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.120461 (E_RNA)
where:
Base-Base interactions energy: -865.278
where: short stacking energy: -349.259
Base-Backbone interact. energy: -2.024
local terms energy: -345.818427
where:
bonds (distance) C4'-P energy: -55.576
bonds (distance) P-C4' energy: -64.836
flat angles C4'-P-C4' energy: -85.769
flat angles P-C4'-P energy: -54.662
tors. eta vs tors. theta energy: -84.975
Dist. restrs. and SS energy: -208.800 (S_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: 446
Temperature: 1.000000
Total energy: -1420.474232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.474232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.674232 (E_RNA)
where:
Base-Base interactions energy: -862.665
where: short stacking energy: -333.734
Base-Backbone interact. energy: 0.346
local terms energy: -349.354627
where:
bonds (distance) C4'-P energy: -72.327
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: -84.890
Dist. restrs. and SS energy: -208.800 (S_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: 446
Temperature: 1.050000
Total energy: -1415.673297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.673297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.673297 (E_RNA)
where:
Base-Base interactions energy: -873.591
where: short stacking energy: -337.749
Base-Backbone interact. energy: 1.334
local terms energy: -345.416244
where:
bonds (distance) C4'-P energy: -70.881
bonds (distance) P-C4' energy: -65.633
flat angles C4'-P-C4' energy: -72.478
flat angles P-C4'-P energy: -50.907
tors. eta vs tors. theta energy: -85.516
Dist. restrs. and SS energy: -198.000 (S_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: 446
Temperature: 1.100000
Total energy: -1330.671755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.671755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.271755 (E_RNA)
where:
Base-Base interactions energy: -775.640
where: short stacking energy: -311.732
Base-Backbone interact. energy: 0.097
local terms energy: -342.728845
where:
bonds (distance) C4'-P energy: -60.510
bonds (distance) P-C4' energy: -69.340
flat angles C4'-P-C4' energy: -78.955
flat angles P-C4'-P energy: -55.782
tors. eta vs tors. theta energy: -78.142
Dist. restrs. and SS energy: -212.400 (S_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: -1284.796490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.796490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.596490 (E_RNA)
where:
Base-Base interactions energy: -754.864
where: short stacking energy: -281.834
Base-Backbone interact. energy: -2.041
local terms energy: -313.691088
where:
bonds (distance) C4'-P energy: -61.952
bonds (distance) P-C4' energy: -65.706
flat angles C4'-P-C4' energy: -77.220
flat angles P-C4'-P energy: -39.089
tors. eta vs tors. theta energy: -69.724
Dist. restrs. and SS energy: -214.200 (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: 446
Temperature: 1.200000
Total energy: -1204.697589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.697589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.497589 (E_RNA)
where:
Base-Base interactions energy: -677.773
where: short stacking energy: -276.253
Base-Backbone interact. energy: -0.945
local terms energy: -311.779314
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -78.085
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -62.577
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1171.701851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.701851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.901851 (E_RNA)
where:
Base-Base interactions energy: -661.395
where: short stacking energy: -280.785
Base-Backbone interact. energy: -0.608
local terms energy: -318.898596
where:
bonds (distance) C4'-P energy: -59.043
bonds (distance) P-C4' energy: -75.344
flat angles C4'-P-C4' energy: -68.967
flat angles P-C4'-P energy: -45.287
tors. eta vs tors. theta energy: -70.258
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1150.446975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.446975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.246975 (E_RNA)
where:
Base-Base interactions energy: -668.403
where: short stacking energy: -254.006
Base-Backbone interact. energy: 3.337
local terms energy: -280.180857
where:
bonds (distance) C4'-P energy: -64.712
bonds (distance) P-C4' energy: -60.930
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -64.422
Dist. restrs. and SS energy: -205.200 (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: 446
Temperature: 1.350000
Total energy: -988.086175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.086175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.486175 (E_RNA)
where:
Base-Base interactions energy: -544.619
where: short stacking energy: -229.238
Base-Backbone interact. energy: -0.205
local terms energy: -259.662044
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -56.153
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -47.494
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1541.279955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.279955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.079955 (E_RNA)
where:
Base-Base interactions energy: -953.474
where: short stacking energy: -349.235
Base-Backbone interact. energy: -2.616
local terms energy: -379.989527
where:
bonds (distance) C4'-P energy: -68.026
bonds (distance) P-C4' energy: -73.496
flat angles C4'-P-C4' energy: -88.735
flat angles P-C4'-P energy: -51.846
tors. eta vs tors. theta energy: -97.887
Dist. restrs. and SS energy: -205.200 (S_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: 447
Temperature: 0.950000
Total energy: -1467.214257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.214257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.814257 (E_RNA)
where:
Base-Base interactions energy: -900.778
where: short stacking energy: -374.464
Base-Backbone interact. energy: 1.188
local terms energy: -364.223486
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -66.910
flat angles C4'-P-C4' energy: -81.790
flat angles P-C4'-P energy: -52.497
tors. eta vs tors. theta energy: -95.978
Dist. restrs. and SS energy: -203.400 (S_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: 447
Temperature: 1.000000
Total energy: -1406.298713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.298713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.698713 (E_RNA)
where:
Base-Base interactions energy: -829.931
where: short stacking energy: -324.688
Base-Backbone interact. energy: 3.078
local terms energy: -377.846021
where:
bonds (distance) C4'-P energy: -72.471
bonds (distance) P-C4' energy: -73.423
flat angles C4'-P-C4' energy: -87.218
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -91.744
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1379.127667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.127667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.327667 (E_RNA)
where:
Base-Base interactions energy: -851.429
where: short stacking energy: -330.548
Base-Backbone interact. energy: -1.600
local terms energy: -326.298742
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -69.738
flat angles C4'-P-C4' energy: -76.974
flat angles P-C4'-P energy: -39.604
tors. eta vs tors. theta energy: -83.401
Dist. restrs. and SS energy: -199.800 (S_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: 447
Temperature: 1.100000
Total energy: -1324.735049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.735049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.335049 (E_RNA)
where:
Base-Base interactions energy: -775.410
where: short stacking energy: -311.575
Base-Backbone interact. energy: -2.698
local terms energy: -334.226622
where:
bonds (distance) C4'-P energy: -61.163
bonds (distance) P-C4' energy: -66.915
flat angles C4'-P-C4' energy: -80.667
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -81.773
Dist. restrs. and SS energy: -212.400 (S_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: 447
Temperature: 1.150000
Total energy: -1272.475523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.475523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.275523 (E_RNA)
where:
Base-Base interactions energy: -758.295
where: short stacking energy: -280.342
Base-Backbone interact. energy: -0.890
local terms energy: -299.090926
where:
bonds (distance) C4'-P energy: -68.307
bonds (distance) P-C4' energy: -56.490
flat angles C4'-P-C4' energy: -68.792
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -62.270
Dist. restrs. and SS energy: -214.200 (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: 447
Temperature: 1.200000
Total energy: -1217.202620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.202620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.802620 (E_RNA)
where:
Base-Base interactions energy: -690.036
where: short stacking energy: -276.394
Base-Backbone interact. energy: 0.157
local terms energy: -314.923571
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -68.365
flat angles C4'-P-C4' energy: -65.856
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1216.713873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.713873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.313873 (E_RNA)
where:
Base-Base interactions energy: -687.551
where: short stacking energy: -282.559
Base-Backbone interact. energy: 0.734
local terms energy: -335.497596
where:
bonds (distance) C4'-P energy: -60.996
bonds (distance) P-C4' energy: -67.453
flat angles C4'-P-C4' energy: -83.334
flat angles P-C4'-P energy: -57.875
tors. eta vs tors. theta energy: -65.839
Dist. restrs. and SS energy: -194.400 (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: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1116.381116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.381116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.581116 (E_RNA)
where:
Base-Base interactions energy: -631.906
where: short stacking energy: -254.120
Base-Backbone interact. energy: 4.681
local terms energy: -289.355776
where:
bonds (distance) C4'-P energy: -56.003
bonds (distance) P-C4' energy: -76.661
flat angles C4'-P-C4' energy: -58.569
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -63.825
Dist. restrs. and SS energy: -199.800 (S_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: -952.247129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.247129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.247129 (E_RNA)
where:
Base-Base interactions energy: -517.293
where: short stacking energy: -213.344
Base-Backbone interact. energy: -3.137
local terms energy: -260.817404
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -61.762
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -47.022
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1535.968652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.968652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.768652 (E_RNA)
where:
Base-Base interactions energy: -961.001
where: short stacking energy: -355.367
Base-Backbone interact. energy: -2.827
local terms energy: -366.941369
where:
bonds (distance) C4'-P energy: -73.059
bonds (distance) P-C4' energy: -62.987
flat angles C4'-P-C4' energy: -76.825
flat angles P-C4'-P energy: -54.346
tors. eta vs tors. theta energy: -99.724
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1467.478300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.478300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.878300 (E_RNA)
where:
Base-Base interactions energy: -888.892
where: short stacking energy: -356.156
Base-Backbone interact. energy: 0.004
local terms energy: -376.990206
where:
bonds (distance) C4'-P energy: -73.644
bonds (distance) P-C4' energy: -66.055
flat angles C4'-P-C4' energy: -85.670
flat angles P-C4'-P energy: -58.172
tors. eta vs tors. theta energy: -93.450
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1423.014906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.014906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.414906 (E_RNA)
where:
Base-Base interactions energy: -865.626
where: short stacking energy: -340.463
Base-Backbone interact. energy: -3.002
local terms energy: -352.786733
where:
bonds (distance) C4'-P energy: -68.199
bonds (distance) P-C4' energy: -65.331
flat angles C4'-P-C4' energy: -74.052
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: -89.755
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1382.655964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.655964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.255964 (E_RNA)
where:
Base-Base interactions energy: -832.367
where: short stacking energy: -332.430
Base-Backbone interact. energy: -0.836
local terms energy: -346.053067
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -77.176
flat angles C4'-P-C4' energy: -79.524
flat angles P-C4'-P energy: -32.967
tors. eta vs tors. theta energy: -85.793
Dist. restrs. and SS energy: -203.400 (S_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: 448
Temperature: 1.100000
Total energy: -1336.859383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.859383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.659383 (E_RNA)
where:
Base-Base interactions energy: -759.942
where: short stacking energy: -319.250
Base-Backbone interact. energy: -1.660
local terms energy: -361.057593
where:
bonds (distance) C4'-P energy: -66.538
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -80.674
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -89.843
Dist. restrs. and SS energy: -214.200 (S_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: 448
Temperature: 1.150000
Total energy: -1280.827474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.827474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.627474 (E_RNA)
where:
Base-Base interactions energy: -748.823
where: short stacking energy: -288.893
Base-Backbone interact. energy: 1.005
local terms energy: -318.809859
where:
bonds (distance) C4'-P energy: -66.647
bonds (distance) P-C4' energy: -72.107
flat angles C4'-P-C4' energy: -67.921
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -70.034
Dist. restrs. and SS energy: -214.200 (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: 448
Temperature: 1.200000
Total energy: -1207.691992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.691992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.691992 (E_RNA)
where:
Base-Base interactions energy: -701.383
where: short stacking energy: -272.167
Base-Backbone interact. energy: -2.294
local terms energy: -288.014598
where:
bonds (distance) C4'-P energy: -62.523
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -67.803
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -65.393
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1189.712424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.712424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.312424 (E_RNA)
where:
Base-Base interactions energy: -687.858
where: short stacking energy: -287.486
Base-Backbone interact. energy: -0.185
local terms energy: -307.268585
where:
bonds (distance) C4'-P energy: -65.323
bonds (distance) P-C4' energy: -61.017
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -49.945
tors. eta vs tors. theta energy: -77.174
Dist. restrs. and SS energy: -194.400 (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: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1112.301311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.301311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.501311 (E_RNA)
where:
Base-Base interactions energy: -643.166
where: short stacking energy: -262.930
Base-Backbone interact. energy: 2.567
local terms energy: -280.902875
where:
bonds (distance) C4'-P energy: -59.768
bonds (distance) P-C4' energy: -56.960
flat angles C4'-P-C4' energy: -62.979
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: -62.326
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -987.382016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.382016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.382016 (E_RNA)
where:
Base-Base interactions energy: -542.138
where: short stacking energy: -218.959
Base-Backbone interact. energy: 2.338
local terms energy: -267.582007
where:
bonds (distance) C4'-P energy: -59.882
bonds (distance) P-C4' energy: -58.061
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -39.401
tors. eta vs tors. theta energy: -57.642
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1533.787205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.787205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.787205 (E_RNA)
where:
Base-Base interactions energy: -964.534
where: short stacking energy: -350.994
Base-Backbone interact. energy: -1.455
local terms energy: -360.797985
where:
bonds (distance) C4'-P energy: -66.291
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -76.900
flat angles P-C4'-P energy: -50.494
tors. eta vs tors. theta energy: -95.577
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1477.271088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.271088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.071088 (E_RNA)
where:
Base-Base interactions energy: -884.967
where: short stacking energy: -358.417
Base-Backbone interact. energy: -0.450
local terms energy: -386.653642
where:
bonds (distance) C4'-P energy: -67.658
bonds (distance) P-C4' energy: -76.729
flat angles C4'-P-C4' energy: -89.186
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: -98.650
Dist. restrs. and SS energy: -205.200 (S_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: 449
Temperature: 1.000000
Total energy: -1434.542743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.542743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.942743 (E_RNA)
where:
Base-Base interactions energy: -885.507
where: short stacking energy: -340.320
Base-Backbone interact. energy: -3.949
local terms energy: -343.486938
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -68.240
flat angles C4'-P-C4' energy: -73.717
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -85.766
Dist. restrs. and SS energy: -201.600 (S_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: 449
Temperature: 1.050000
Total energy: -1385.167211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.167211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.167211 (E_RNA)
where:
Base-Base interactions energy: -832.230
where: short stacking energy: -335.767
Base-Backbone interact. energy: 1.958
local terms energy: -347.895215
where:
bonds (distance) C4'-P energy: -57.936
bonds (distance) P-C4' energy: -71.802
flat angles C4'-P-C4' energy: -73.191
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -93.845
Dist. restrs. and SS energy: -207.000 (S_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: -1339.256653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.256653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.856653 (E_RNA)
where:
Base-Base interactions energy: -799.424
where: short stacking energy: -313.650
Base-Backbone interact. energy: -1.641
local terms energy: -325.792135
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -59.808
flat angles C4'-P-C4' energy: -74.369
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -79.809
Dist. restrs. and SS energy: -212.400 (S_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: -1295.680034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.680034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.280034 (E_RNA)
where:
Base-Base interactions energy: -781.487
where: short stacking energy: -292.651
Base-Backbone interact. energy: -2.642
local terms energy: -299.150636
where:
bonds (distance) C4'-P energy: -50.898
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -75.936
flat angles P-C4'-P energy: -51.143
tors. eta vs tors. theta energy: -65.008
Dist. restrs. and SS energy: -212.400 (S_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: 449
Temperature: 1.200000
Total energy: -1189.530518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.530518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.130518 (E_RNA)
where:
Base-Base interactions energy: -688.576
where: short stacking energy: -272.452
Base-Backbone interact. energy: -0.936
local terms energy: -287.618880
where:
bonds (distance) C4'-P energy: -62.099
bonds (distance) P-C4' energy: -67.725
flat angles C4'-P-C4' energy: -59.417
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -59.090
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1156.081222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.081222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.881222 (E_RNA)
where:
Base-Base interactions energy: -645.571
where: short stacking energy: -262.231
Base-Backbone interact. energy: 0.673
local terms energy: -314.982874
where:
bonds (distance) C4'-P energy: -66.056
bonds (distance) P-C4' energy: -66.201
flat angles C4'-P-C4' energy: -72.205
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: -66.985
Dist. restrs. and SS energy: -196.200 (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: 449
Temperature: 1.300000
Total energy: -1117.068238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.068238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.668238 (E_RNA)
where:
Base-Base interactions energy: -627.211
where: short stacking energy: -239.704
Base-Backbone interact. energy: -1.477
local terms energy: -293.980665
where:
bonds (distance) C4'-P energy: -61.246
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -63.594
flat angles P-C4'-P energy: -47.139
tors. eta vs tors. theta energy: -65.326
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -955.738186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.738186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.738186 (E_RNA)
where:
Base-Base interactions energy: -504.562
where: short stacking energy: -220.938
Base-Backbone interact. energy: -1.194
local terms energy: -269.981780
where:
bonds (distance) C4'-P energy: -61.885
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -53.088
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -58.672
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1543.384908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.384908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.184908 (E_RNA)
where:
Base-Base interactions energy: -950.171
where: short stacking energy: -356.730
Base-Backbone interact. energy: -7.070
local terms energy: -380.944342
where:
bonds (distance) C4'-P energy: -72.361
bonds (distance) P-C4' energy: -77.576
flat angles C4'-P-C4' energy: -81.108
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -100.251
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1482.511743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.511743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.311743 (E_RNA)
where:
Base-Base interactions energy: -895.500
where: short stacking energy: -361.752
Base-Backbone interact. energy: -0.899
local terms energy: -380.912768
where:
bonds (distance) C4'-P energy: -76.634
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -89.143
flat angles P-C4'-P energy: -50.976
tors. eta vs tors. theta energy: -99.696
Dist. restrs. and SS energy: -205.200 (S_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: 450
Temperature: 1.000000
Total energy: -1423.691274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.691274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.891274 (E_RNA)
where:
Base-Base interactions energy: -863.037
where: short stacking energy: -339.808
Base-Backbone interact. energy: -1.506
local terms energy: -359.348667
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -75.035
flat angles C4'-P-C4' energy: -82.980
flat angles P-C4'-P energy: -55.543
tors. eta vs tors. theta energy: -83.749
Dist. restrs. and SS energy: -199.800 (S_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: 450
Temperature: 1.050000
Total energy: -1381.717854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.717854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.917854 (E_RNA)
where:
Base-Base interactions energy: -818.780
where: short stacking energy: -333.876
Base-Backbone interact. energy: -1.158
local terms energy: -352.980544
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -71.756
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -50.209
tors. eta vs tors. theta energy: -90.667
Dist. restrs. and SS energy: -208.800 (S_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: 450
Temperature: 1.100000
Total energy: -1358.146625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.146625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.746625 (E_RNA)
where:
Base-Base interactions energy: -804.189
where: short stacking energy: -308.511
Base-Backbone interact. energy: -2.632
local terms energy: -338.925277
where:
bonds (distance) C4'-P energy: -67.222
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -81.733
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -83.696
Dist. restrs. and SS energy: -212.400 (S_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: 450
Temperature: 1.150000
Total energy: -1301.651306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.651306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.651306 (E_RNA)
where:
Base-Base interactions energy: -796.948
where: short stacking energy: -297.228
Base-Backbone interact. energy: 1.769
local terms energy: -299.472080
where:
bonds (distance) C4'-P energy: -62.756
bonds (distance) P-C4' energy: -62.961
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: -74.009
Dist. restrs. and SS energy: -207.000 (S_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: 450
Temperature: 1.200000
Total energy: -1226.911077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.911077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.511077 (E_RNA)
where:
Base-Base interactions energy: -716.346
where: short stacking energy: -295.054
Base-Backbone interact. energy: -1.482
local terms energy: -296.682369
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -73.959
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -70.583
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1147.993462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.993462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.793462 (E_RNA)
where:
Base-Base interactions energy: -678.514
where: short stacking energy: -272.814
Base-Backbone interact. energy: -0.407
local terms energy: -272.872309
where:
bonds (distance) C4'-P energy: -57.109
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -67.240
flat angles P-C4'-P energy: -47.703
tors. eta vs tors. theta energy: -63.738
Dist. restrs. and SS energy: -196.200 (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: 450
Temperature: 1.300000
Total energy: -1161.013853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.013853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.413853 (E_RNA)
where:
Base-Base interactions energy: -668.954
where: short stacking energy: -263.229
Base-Backbone interact. energy: -1.969
local terms energy: -288.490790
where:
bonds (distance) C4'-P energy: -55.884
bonds (distance) P-C4' energy: -59.071
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -53.314
tors. eta vs tors. theta energy: -57.015
Dist. restrs. and SS energy: -201.600 (S_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: 450
Temperature: 1.350000
Total energy: -990.562855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.562855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.562855 (E_RNA)
where:
Base-Base interactions energy: -545.388
where: short stacking energy: -213.061
Base-Backbone interact. energy: -1.615
local terms energy: -254.559842
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -44.863
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1528.130908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.130908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.130908 (E_RNA)
where:
Base-Base interactions energy: -959.226
where: short stacking energy: -362.512
Base-Backbone interact. energy: -3.982
local terms energy: -357.922815
where:
bonds (distance) C4'-P energy: -63.819
bonds (distance) P-C4' energy: -75.701
flat angles C4'-P-C4' energy: -75.766
flat angles P-C4'-P energy: -53.738
tors. eta vs tors. theta energy: -88.898
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1477.537983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.537983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.137983 (E_RNA)
where:
Base-Base interactions energy: -909.527
where: short stacking energy: -369.702
Base-Backbone interact. energy: -1.467
local terms energy: -363.143982
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -66.670
flat angles C4'-P-C4' energy: -84.630
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -101.913
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1459.760798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.760798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.960798 (E_RNA)
where:
Base-Base interactions energy: -900.369
where: short stacking energy: -358.970
Base-Backbone interact. energy: -2.714
local terms energy: -356.878011
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -55.439
tors. eta vs tors. theta energy: -87.432
Dist. restrs. and SS energy: -199.800 (S_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: 451
Temperature: 1.050000
Total energy: -1404.514822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.514822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.314822 (E_RNA)
where:
Base-Base interactions energy: -842.896
where: short stacking energy: -323.810
Base-Backbone interact. energy: -4.171
local terms energy: -352.247691
where:
bonds (distance) C4'-P energy: -67.534
bonds (distance) P-C4' energy: -66.684
flat angles C4'-P-C4' energy: -74.017
flat angles P-C4'-P energy: -62.938
tors. eta vs tors. theta energy: -81.074
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1334.933740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.933740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.733740 (E_RNA)
where:
Base-Base interactions energy: -782.537
where: short stacking energy: -325.946
Base-Backbone interact. energy: -2.166
local terms energy: -336.031261
where:
bonds (distance) C4'-P energy: -70.703
bonds (distance) P-C4' energy: -65.105
flat angles C4'-P-C4' energy: -78.994
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -77.908
Dist. restrs. and SS energy: -214.200 (S_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: 451
Temperature: 1.150000
Total energy: -1282.043387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.043387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.043387 (E_RNA)
where:
Base-Base interactions energy: -760.777
where: short stacking energy: -278.665
Base-Backbone interact. energy: 1.316
local terms energy: -315.582301
where:
bonds (distance) C4'-P energy: -73.314
bonds (distance) P-C4' energy: -63.965
flat angles C4'-P-C4' energy: -74.196
flat angles P-C4'-P energy: -42.611
tors. eta vs tors. theta energy: -61.496
Dist. restrs. and SS energy: -207.000 (S_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: 451
Temperature: 1.200000
Total energy: -1228.848654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.848654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.448654 (E_RNA)
where:
Base-Base interactions energy: -710.431
where: short stacking energy: -277.039
Base-Backbone interact. energy: -2.274
local terms energy: -303.744073
where:
bonds (distance) C4'-P energy: -62.012
bonds (distance) P-C4' energy: -68.550
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -74.768
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1149.351431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.351431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.351431 (E_RNA)
where:
Base-Base interactions energy: -659.590
where: short stacking energy: -268.725
Base-Backbone interact. energy: -2.470
local terms energy: -280.292407
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -52.189
flat angles C4'-P-C4' energy: -64.864
flat angles P-C4'-P energy: -49.885
tors. eta vs tors. theta energy: -55.969
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1127.448556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.448556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.648556 (E_RNA)
where:
Base-Base interactions energy: -645.149
where: short stacking energy: -245.330
Base-Backbone interact. energy: -3.080
local terms energy: -270.418818
where:
bonds (distance) C4'-P energy: -52.159
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -64.081
Dist. restrs. and SS energy: -208.800 (S_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: 451
Temperature: 1.350000
Total energy: -1001.080337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.080337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.880337 (E_RNA)
where:
Base-Base interactions energy: -565.273
where: short stacking energy: -232.272
Base-Backbone interact. energy: -2.376
local terms energy: -246.231191
where:
bonds (distance) C4'-P energy: -61.235
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -35.349
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1540.249380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.249380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.449380 (E_RNA)
where:
Base-Base interactions energy: -950.805
where: short stacking energy: -365.576
Base-Backbone interact. energy: -2.048
local terms energy: -378.596908
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -75.964
flat angles C4'-P-C4' energy: -76.546
flat angles P-C4'-P energy: -58.145
tors. eta vs tors. theta energy: -97.609
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1468.892099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.892099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.092099 (E_RNA)
where:
Base-Base interactions energy: -893.106
where: short stacking energy: -351.732
Base-Backbone interact. energy: -2.249
local terms energy: -373.737012
where:
bonds (distance) C4'-P energy: -72.504
bonds (distance) P-C4' energy: -74.313
flat angles C4'-P-C4' energy: -80.455
flat angles P-C4'-P energy: -53.310
tors. eta vs tors. theta energy: -93.155
Dist. restrs. and SS energy: -199.800 (S_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: 452
Temperature: 1.000000
Total energy: -1445.142258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.142258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.342258 (E_RNA)
where:
Base-Base interactions energy: -877.064
where: short stacking energy: -353.059
Base-Backbone interact. energy: -1.717
local terms energy: -366.561360
where:
bonds (distance) C4'-P energy: -69.939
bonds (distance) P-C4' energy: -65.238
flat angles C4'-P-C4' energy: -85.502
flat angles P-C4'-P energy: -52.561
tors. eta vs tors. theta energy: -93.322
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1366.886078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.886078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.086078 (E_RNA)
where:
Base-Base interactions energy: -816.313
where: short stacking energy: -318.585
Base-Backbone interact. energy: -4.160
local terms energy: -337.613400
where:
bonds (distance) C4'-P energy: -62.450
bonds (distance) P-C4' energy: -63.620
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -60.576
tors. eta vs tors. theta energy: -76.781
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1354.966047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.966047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.566047 (E_RNA)
where:
Base-Base interactions energy: -789.874
where: short stacking energy: -304.291
Base-Backbone interact. energy: 3.042
local terms energy: -355.734209
where:
bonds (distance) C4'-P energy: -69.447
bonds (distance) P-C4' energy: -82.976
flat angles C4'-P-C4' energy: -67.784
flat angles P-C4'-P energy: -55.101
tors. eta vs tors. theta energy: -80.427
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1299.682668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.682668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.682668 (E_RNA)
where:
Base-Base interactions energy: -759.323
where: short stacking energy: -302.820
Base-Backbone interact. energy: -1.185
local terms energy: -323.174434
where:
bonds (distance) C4'-P energy: -57.811
bonds (distance) P-C4' energy: -54.043
flat angles C4'-P-C4' energy: -80.421
flat angles P-C4'-P energy: -47.292
tors. eta vs tors. theta energy: -83.607
Dist. restrs. and SS energy: -216.000 (S_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: 452
Temperature: 1.200000
Total energy: -1201.541396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.541396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.541396 (E_RNA)
where:
Base-Base interactions energy: -686.072
where: short stacking energy: -284.347
Base-Backbone interact. energy: -1.360
local terms energy: -298.108948
where:
bonds (distance) C4'-P energy: -58.515
bonds (distance) P-C4' energy: -54.818
flat angles C4'-P-C4' energy: -68.295
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -60.667
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1148.662579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.662579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.662579 (E_RNA)
where:
Base-Base interactions energy: -660.527
where: short stacking energy: -236.733
Base-Backbone interact. energy: -0.274
local terms energy: -280.860682
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -68.056
flat angles C4'-P-C4' energy: -66.476
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -51.073
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1115.995335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.995335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.595335 (E_RNA)
where:
Base-Base interactions energy: -616.023
where: short stacking energy: -224.993
Base-Backbone interact. energy: -0.875
local terms energy: -295.697209
where:
bonds (distance) C4'-P energy: -55.600
bonds (distance) P-C4' energy: -71.902
flat angles C4'-P-C4' energy: -76.018
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -56.164
Dist. restrs. and SS energy: -203.400 (S_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: 452
Temperature: 1.350000
Total energy: -1027.174562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.174562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.574562 (E_RNA)
where:
Base-Base interactions energy: -583.093
where: short stacking energy: -226.577
Base-Backbone interact. energy: -3.632
local terms energy: -256.850209
where:
bonds (distance) C4'-P energy: -59.619
bonds (distance) P-C4' energy: -68.376
flat angles C4'-P-C4' energy: -60.426
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -39.012
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1534.758550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.758550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.958550 (E_RNA)
where:
Base-Base interactions energy: -942.986
where: short stacking energy: -356.340
Base-Backbone interact. energy: -0.838
local terms energy: -382.134820
where:
bonds (distance) C4'-P energy: -79.961
bonds (distance) P-C4' energy: -69.018
flat angles C4'-P-C4' energy: -81.116
flat angles P-C4'-P energy: -58.363
tors. eta vs tors. theta energy: -93.677
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1477.661441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.661441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.261441 (E_RNA)
where:
Base-Base interactions energy: -898.752
where: short stacking energy: -356.596
Base-Backbone interact. energy: -0.798
local terms energy: -374.712018
where:
bonds (distance) C4'-P energy: -73.725
bonds (distance) P-C4' energy: -73.571
flat angles C4'-P-C4' energy: -76.002
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -98.010
Dist. restrs. and SS energy: -203.400 (S_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: 453
Temperature: 1.000000
Total energy: -1405.886793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.886793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.086793 (E_RNA)
where:
Base-Base interactions energy: -870.203
where: short stacking energy: -335.484
Base-Backbone interact. energy: -1.223
local terms energy: -334.660427
where:
bonds (distance) C4'-P energy: -64.013
bonds (distance) P-C4' energy: -60.511
flat angles C4'-P-C4' energy: -80.269
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: -79.401
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1363.958982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.958982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.358982 (E_RNA)
where:
Base-Base interactions energy: -817.726
where: short stacking energy: -301.057
Base-Backbone interact. energy: -0.391
local terms energy: -335.241262
where:
bonds (distance) C4'-P energy: -62.561
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -49.628
tors. eta vs tors. theta energy: -73.448
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1353.078676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.078676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.278676 (E_RNA)
where:
Base-Base interactions energy: -805.353
where: short stacking energy: -340.972
Base-Backbone interact. energy: -1.780
local terms energy: -337.145914
where:
bonds (distance) C4'-P energy: -66.894
bonds (distance) P-C4' energy: -56.911
flat angles C4'-P-C4' energy: -74.041
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -87.750
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1294.954788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.954788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.954788 (E_RNA)
where:
Base-Base interactions energy: -765.942
where: short stacking energy: -298.451
Base-Backbone interact. energy: -1.179
local terms energy: -311.834521
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -68.639
flat angles C4'-P-C4' energy: -70.669
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -75.589
Dist. restrs. and SS energy: -216.000 (S_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: 453
Temperature: 1.200000
Total energy: -1199.381132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.381132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.981132 (E_RNA)
where:
Base-Base interactions energy: -680.971
where: short stacking energy: -267.836
Base-Backbone interact. energy: -0.487
local terms energy: -305.523459
where:
bonds (distance) C4'-P energy: -70.293
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -66.779
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -66.946
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1135.685412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.685412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.685412 (E_RNA)
where:
Base-Base interactions energy: -638.329
where: short stacking energy: -240.422
Base-Backbone interact. energy: -0.427
local terms energy: -298.929383
where:
bonds (distance) C4'-P energy: -62.697
bonds (distance) P-C4' energy: -59.449
flat angles C4'-P-C4' energy: -66.312
flat angles P-C4'-P energy: -47.056
tors. eta vs tors. theta energy: -63.415
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1065.035666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.035666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.035666 (E_RNA)
where:
Base-Base interactions energy: -602.783
where: short stacking energy: -220.610
Base-Backbone interact. energy: 0.005
local terms energy: -264.257506
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -61.163
Dist. restrs. and SS energy: -198.000 (S_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: 453
Temperature: 1.350000
Total energy: -1015.687285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.687285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.487285 (E_RNA)
where:
Base-Base interactions energy: -555.689
where: short stacking energy: -213.939
Base-Backbone interact. energy: -1.459
local terms energy: -271.339096
where:
bonds (distance) C4'-P energy: -66.469
bonds (distance) P-C4' energy: -59.878
flat angles C4'-P-C4' energy: -51.210
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -52.281
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1527.244491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.244491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.444491 (E_RNA)
where:
Base-Base interactions energy: -942.626
where: short stacking energy: -344.715
Base-Backbone interact. energy: -3.951
local terms energy: -371.867208
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -74.919
flat angles C4'-P-C4' energy: -81.258
flat angles P-C4'-P energy: -55.342
tors. eta vs tors. theta energy: -98.519
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1491.318350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.318350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.318350 (E_RNA)
where:
Base-Base interactions energy: -914.958
where: short stacking energy: -349.393
Base-Backbone interact. energy: -3.889
local terms energy: -365.471565
where:
bonds (distance) C4'-P energy: -75.428
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -79.409
flat angles P-C4'-P energy: -47.353
tors. eta vs tors. theta energy: -103.821
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1392.602333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.602333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.802333 (E_RNA)
where:
Base-Base interactions energy: -834.368
where: short stacking energy: -319.698
Base-Backbone interact. energy: -1.690
local terms energy: -347.743945
where:
bonds (distance) C4'-P energy: -74.777
bonds (distance) P-C4' energy: -72.564
flat angles C4'-P-C4' energy: -74.330
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -74.500
Dist. restrs. and SS energy: -208.800 (S_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: 454
Temperature: 1.050000
Total energy: -1396.151068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.151068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.351068 (E_RNA)
where:
Base-Base interactions energy: -844.911
where: short stacking energy: -339.312
Base-Backbone interact. energy: -0.649
local terms energy: -350.790472
where:
bonds (distance) C4'-P energy: -76.580
bonds (distance) P-C4' energy: -72.610
flat angles C4'-P-C4' energy: -66.640
flat angles P-C4'-P energy: -55.360
tors. eta vs tors. theta energy: -79.601
Dist. restrs. and SS energy: -199.800 (S_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: 454
Temperature: 1.100000
Total energy: -1359.295071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.295071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.095071 (E_RNA)
where:
Base-Base interactions energy: -809.707
where: short stacking energy: -329.202
Base-Backbone interact. energy: -1.965
local terms energy: -333.423539
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -69.307
flat angles C4'-P-C4' energy: -83.860
flat angles P-C4'-P energy: -34.308
tors. eta vs tors. theta energy: -97.888
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1298.835717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.835717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.635717 (E_RNA)
where:
Base-Base interactions energy: -780.118
where: short stacking energy: -308.733
Base-Backbone interact. energy: 0.522
local terms energy: -314.039921
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -62.270
flat angles C4'-P-C4' energy: -78.396
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -77.508
Dist. restrs. and SS energy: -205.200 (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: 454
Temperature: 1.200000
Total energy: -1196.376937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.376937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.176937 (E_RNA)
where:
Base-Base interactions energy: -689.839
where: short stacking energy: -278.404
Base-Backbone interact. energy: 1.522
local terms energy: -293.859888
where:
bonds (distance) C4'-P energy: -61.879
bonds (distance) P-C4' energy: -44.744
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -45.840
tors. eta vs tors. theta energy: -69.004
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1164.650725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.650725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.050725 (E_RNA)
where:
Base-Base interactions energy: -676.999
where: short stacking energy: -267.624
Base-Backbone interact. energy: -3.729
local terms energy: -282.322820
where:
bonds (distance) C4'-P energy: -55.197
bonds (distance) P-C4' energy: -58.632
flat angles C4'-P-C4' energy: -66.617
flat angles P-C4'-P energy: -34.131
tors. eta vs tors. theta energy: -67.745
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1077.144854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.144854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.544854 (E_RNA)
where:
Base-Base interactions energy: -600.712
where: short stacking energy: -238.318
Base-Backbone interact. energy: 2.654
local terms energy: -277.486296
where:
bonds (distance) C4'-P energy: -61.195
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -48.808
tors. eta vs tors. theta energy: -47.862
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -979.198982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.198982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.998982 (E_RNA)
where:
Base-Base interactions energy: -545.182
where: short stacking energy: -226.390
Base-Backbone interact. energy: 4.304
local terms energy: -251.120794
where:
bonds (distance) C4'-P energy: -49.932
bonds (distance) P-C4' energy: -52.732
flat angles C4'-P-C4' energy: -66.849
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: -42.022
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1539.087828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.087828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.087828 (E_RNA)
where:
Base-Base interactions energy: -949.956
where: short stacking energy: -350.116
Base-Backbone interact. energy: -2.604
local terms energy: -379.527949
where:
bonds (distance) C4'-P energy: -71.241
bonds (distance) P-C4' energy: -74.718
flat angles C4'-P-C4' energy: -78.164
flat angles P-C4'-P energy: -55.864
tors. eta vs tors. theta energy: -99.540
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1481.024141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.024141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.224141 (E_RNA)
where:
Base-Base interactions energy: -900.805
where: short stacking energy: -358.969
Base-Backbone interact. energy: -0.764
local terms energy: -379.655607
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -63.912
flat angles C4'-P-C4' energy: -81.642
flat angles P-C4'-P energy: -55.848
tors. eta vs tors. theta energy: -106.260
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1378.312810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.312810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.312810 (E_RNA)
where:
Base-Base interactions energy: -819.735
where: short stacking energy: -315.522
Base-Backbone interact. energy: -1.512
local terms energy: -341.066327
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -68.503
flat angles C4'-P-C4' energy: -77.350
flat angles P-C4'-P energy: -54.962
tors. eta vs tors. theta energy: -79.601
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1388.375798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.375798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.375798 (E_RNA)
where:
Base-Base interactions energy: -852.902
where: short stacking energy: -325.749
Base-Backbone interact. energy: 0.535
local terms energy: -338.009006
where:
bonds (distance) C4'-P energy: -68.007
bonds (distance) P-C4' energy: -67.645
flat angles C4'-P-C4' energy: -70.821
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -82.794
Dist. restrs. and SS energy: -198.000 (S_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: 455
Temperature: 1.100000
Total energy: -1350.248809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.248809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.248809 (E_RNA)
where:
Base-Base interactions energy: -797.491
where: short stacking energy: -316.824
Base-Backbone interact. energy: -2.452
local terms energy: -343.305575
where:
bonds (distance) C4'-P energy: -57.351
bonds (distance) P-C4' energy: -72.813
flat angles C4'-P-C4' energy: -77.562
flat angles P-C4'-P energy: -45.779
tors. eta vs tors. theta energy: -89.801
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1309.970346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.970346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.970346 (E_RNA)
where:
Base-Base interactions energy: -777.989
where: short stacking energy: -321.019
Base-Backbone interact. energy: 1.771
local terms energy: -326.751854
where:
bonds (distance) C4'-P energy: -60.191
bonds (distance) P-C4' energy: -71.589
flat angles C4'-P-C4' energy: -73.177
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: -207.000 (S_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: 455
Temperature: 1.200000
Total energy: -1214.723091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.723091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.523091 (E_RNA)
where:
Base-Base interactions energy: -692.658
where: short stacking energy: -260.396
Base-Backbone interact. energy: -1.315
local terms energy: -306.550259
where:
bonds (distance) C4'-P energy: -62.682
bonds (distance) P-C4' energy: -58.951
flat angles C4'-P-C4' energy: -72.809
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -67.465
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1176.173599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.173599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.173599 (E_RNA)
where:
Base-Base interactions energy: -674.862
where: short stacking energy: -269.453
Base-Backbone interact. energy: 3.787
local terms energy: -298.098528
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -70.015
flat angles C4'-P-C4' energy: -67.270
flat angles P-C4'-P energy: -48.339
tors. eta vs tors. theta energy: -59.476
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1085.130500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.130500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.730500 (E_RNA)
where:
Base-Base interactions energy: -608.334
where: short stacking energy: -239.600
Base-Backbone interact. energy: -0.560
local terms energy: -272.836806
where:
bonds (distance) C4'-P energy: -49.779
bonds (distance) P-C4' energy: -57.695
flat angles C4'-P-C4' energy: -64.123
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -46.922
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -994.830439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.830439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.030439 (E_RNA)
where:
Base-Base interactions energy: -554.083
where: short stacking energy: -217.356
Base-Backbone interact. energy: -1.007
local terms energy: -248.940022
where:
bonds (distance) C4'-P energy: -63.465
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -44.104
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1536.465845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.465845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.665845 (E_RNA)
where:
Base-Base interactions energy: -949.025
where: short stacking energy: -351.016
Base-Backbone interact. energy: -2.791
local terms energy: -375.850385
where:
bonds (distance) C4'-P energy: -66.741
bonds (distance) P-C4' energy: -79.250
flat angles C4'-P-C4' energy: -79.775
flat angles P-C4'-P energy: -49.689
tors. eta vs tors. theta energy: -100.394
Dist. restrs. and SS energy: -208.800 (S_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: 456
Temperature: 0.950000
Total energy: -1468.665401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.665401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.265401 (E_RNA)
where:
Base-Base interactions energy: -892.469
where: short stacking energy: -352.933
Base-Backbone interact. energy: -2.716
local terms energy: -370.081014
where:
bonds (distance) C4'-P energy: -63.760
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -81.506
flat angles P-C4'-P energy: -54.350
tors. eta vs tors. theta energy: -92.045
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1416.613686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.613686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.013686 (E_RNA)
where:
Base-Base interactions energy: -865.757
where: short stacking energy: -351.418
Base-Backbone interact. energy: -4.324
local terms energy: -344.932285
where:
bonds (distance) C4'-P energy: -67.328
bonds (distance) P-C4' energy: -73.090
flat angles C4'-P-C4' energy: -75.568
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -88.391
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1360.506198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.506198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.506198 (E_RNA)
where:
Base-Base interactions energy: -827.972
where: short stacking energy: -319.842
Base-Backbone interact. energy: 0.982
local terms energy: -317.516762
where:
bonds (distance) C4'-P energy: -61.974
bonds (distance) P-C4' energy: -63.912
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -81.485
Dist. restrs. and SS energy: -216.000 (S_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: 456
Temperature: 1.100000
Total energy: -1338.655046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.655046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.855046 (E_RNA)
where:
Base-Base interactions energy: -785.994
where: short stacking energy: -294.911
Base-Backbone interact. energy: 0.042
local terms energy: -334.902708
where:
bonds (distance) C4'-P energy: -63.194
bonds (distance) P-C4' energy: -70.970
flat angles C4'-P-C4' energy: -71.630
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -81.552
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1271.097171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.097171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.097171 (E_RNA)
where:
Base-Base interactions energy: -730.091
where: short stacking energy: -284.597
Base-Backbone interact. energy: -0.692
local terms energy: -333.313949
where:
bonds (distance) C4'-P energy: -76.579
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -73.433
flat angles P-C4'-P energy: -43.329
tors. eta vs tors. theta energy: -70.408
Dist. restrs. and SS energy: -207.000 (S_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: 456
Temperature: 1.200000
Total energy: -1223.016362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.016362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.416362 (E_RNA)
where:
Base-Base interactions energy: -702.745
where: short stacking energy: -279.982
Base-Backbone interact. energy: 7.147
local terms energy: -316.818551
where:
bonds (distance) C4'-P energy: -67.703
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -68.527
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -67.276
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1143.380919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.380919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.180919 (E_RNA)
where:
Base-Base interactions energy: -660.632
where: short stacking energy: -270.460
Base-Backbone interact. energy: -0.163
local terms energy: -286.385461
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -51.647
flat angles C4'-P-C4' energy: -68.968
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -78.680
Dist. restrs. and SS energy: -196.200 (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: 456
Temperature: 1.300000
Total energy: -1118.859325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.859325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.259325 (E_RNA)
where:
Base-Base interactions energy: -612.584
where: short stacking energy: -235.091
Base-Backbone interact. energy: -1.048
local terms energy: -294.627206
where:
bonds (distance) C4'-P energy: -56.125
bonds (distance) P-C4' energy: -62.607
flat angles C4'-P-C4' energy: -66.579
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -51.753
Dist. restrs. and SS energy: -210.600 (S_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: 456
Temperature: 1.350000
Total energy: -1011.903585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.903585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.103585 (E_RNA)
where:
Base-Base interactions energy: -572.262
where: short stacking energy: -232.448
Base-Backbone interact. energy: 4.447
local terms energy: -262.288523
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -72.679
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -52.438
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1538.501271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.501271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.501271 (E_RNA)
where:
Base-Base interactions energy: -954.038
where: short stacking energy: -358.315
Base-Backbone interact. energy: -3.151
local terms energy: -374.312173
where:
bonds (distance) C4'-P energy: -74.423
bonds (distance) P-C4' energy: -69.241
flat angles C4'-P-C4' energy: -75.330
flat angles P-C4'-P energy: -52.549
tors. eta vs tors. theta energy: -102.769
Dist. restrs. and SS energy: -207.000 (S_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: 457
Temperature: 0.950000
Total energy: -1477.562781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.562781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.362781 (E_RNA)
where:
Base-Base interactions energy: -911.144
where: short stacking energy: -364.759
Base-Backbone interact. energy: -1.885
local terms energy: -359.333284
where:
bonds (distance) C4'-P energy: -69.446
bonds (distance) P-C4' energy: -66.473
flat angles C4'-P-C4' energy: -75.267
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -93.429
Dist. restrs. and SS energy: -205.200 (S_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: 457
Temperature: 1.000000
Total energy: -1402.821825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.821825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.021825 (E_RNA)
where:
Base-Base interactions energy: -858.720
where: short stacking energy: -324.481
Base-Backbone interact. energy: -2.474
local terms energy: -341.827724
where:
bonds (distance) C4'-P energy: -58.804
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -77.192
flat angles P-C4'-P energy: -59.375
tors. eta vs tors. theta energy: -71.266
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1381.584206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.584206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.584206 (E_RNA)
where:
Base-Base interactions energy: -815.253
where: short stacking energy: -307.123
Base-Backbone interact. energy: -0.751
local terms energy: -349.579658
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -71.710
flat angles C4'-P-C4' energy: -79.213
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: -81.076
Dist. restrs. and SS energy: -216.000 (S_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: 457
Temperature: 1.100000
Total energy: -1335.813728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.813728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.413728 (E_RNA)
where:
Base-Base interactions energy: -780.152
where: short stacking energy: -315.521
Base-Backbone interact. energy: -0.666
local terms energy: -342.595251
where:
bonds (distance) C4'-P energy: -69.628
bonds (distance) P-C4' energy: -65.308
flat angles C4'-P-C4' energy: -80.391
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -81.516
Dist. restrs. and SS energy: -212.400 (S_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: 457
Temperature: 1.150000
Total energy: -1307.038807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.038807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.038807 (E_RNA)
where:
Base-Base interactions energy: -771.284
where: short stacking energy: -316.331
Base-Backbone interact. energy: -0.043
local terms energy: -328.711616
where:
bonds (distance) C4'-P energy: -58.403
bonds (distance) P-C4' energy: -55.724
flat angles C4'-P-C4' energy: -80.757
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -85.997
Dist. restrs. and SS energy: -207.000 (S_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: 457
Temperature: 1.200000
Total energy: -1195.173302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.173302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.973302 (E_RNA)
where:
Base-Base interactions energy: -680.985
where: short stacking energy: -260.752
Base-Backbone interact. energy: -3.131
local terms energy: -305.857476
where:
bonds (distance) C4'-P energy: -61.630
bonds (distance) P-C4' energy: -62.173
flat angles C4'-P-C4' energy: -68.257
flat angles P-C4'-P energy: -54.575
tors. eta vs tors. theta energy: -59.224
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1145.045720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.045720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.045720 (E_RNA)
where:
Base-Base interactions energy: -652.850
where: short stacking energy: -274.265
Base-Backbone interact. energy: 0.573
local terms energy: -294.768796
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -54.805
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -64.725
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1120.245713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.245713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.645713 (E_RNA)
where:
Base-Base interactions energy: -633.003
where: short stacking energy: -233.086
Base-Backbone interact. energy: -2.063
local terms energy: -283.579687
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -58.550
Dist. restrs. and SS energy: -201.600 (S_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: 457
Temperature: 1.350000
Total energy: -1024.846083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.846083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.846083 (E_RNA)
where:
Base-Base interactions energy: -556.792
where: short stacking energy: -213.503
Base-Backbone interact. energy: -0.688
local terms energy: -278.365839
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -60.365
flat angles C4'-P-C4' energy: -65.950
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: -40.318
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1563.284668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.284668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.284668 (E_RNA)
where:
Base-Base interactions energy: -970.597
where: short stacking energy: -362.377
Base-Backbone interact. energy: -1.389
local terms energy: -384.299130
where:
bonds (distance) C4'-P energy: -71.473
bonds (distance) P-C4' energy: -82.434
flat angles C4'-P-C4' energy: -79.633
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: -102.590
Dist. restrs. and SS energy: -207.000 (S_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: 458
Temperature: 0.950000
Total energy: -1486.251456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.251456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.051456 (E_RNA)
where:
Base-Base interactions energy: -900.942
where: short stacking energy: -362.607
Base-Backbone interact. energy: -1.325
local terms energy: -378.784652
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -64.681
flat angles C4'-P-C4' energy: -84.220
flat angles P-C4'-P energy: -57.294
tors. eta vs tors. theta energy: -95.362
Dist. restrs. and SS energy: -205.200 (S_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: 458
Temperature: 1.000000
Total energy: -1411.336779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.336779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.336779 (E_RNA)
where:
Base-Base interactions energy: -874.194
where: short stacking energy: -346.763
Base-Backbone interact. energy: -2.318
local terms energy: -336.824793
where:
bonds (distance) C4'-P energy: -64.408
bonds (distance) P-C4' energy: -62.927
flat angles C4'-P-C4' energy: -76.610
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -87.272
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1379.626729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.626729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.426729 (E_RNA)
where:
Base-Base interactions energy: -836.312
where: short stacking energy: -323.434
Base-Backbone interact. energy: -0.294
local terms energy: -328.820002
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -52.911
flat angles C4'-P-C4' energy: -76.148
flat angles P-C4'-P energy: -51.656
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1337.944228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.944228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.944228 (E_RNA)
where:
Base-Base interactions energy: -780.247
where: short stacking energy: -300.397
Base-Backbone interact. energy: -0.571
local terms energy: -341.125847
where:
bonds (distance) C4'-P energy: -75.415
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -64.647
flat angles P-C4'-P energy: -48.802
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: -216.000 (S_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: 458
Temperature: 1.150000
Total energy: -1310.934387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.934387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.734387 (E_RNA)
where:
Base-Base interactions energy: -780.554
where: short stacking energy: -317.831
Base-Backbone interact. energy: -1.164
local terms energy: -324.016767
where:
bonds (distance) C4'-P energy: -57.475
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -54.987
tors. eta vs tors. theta energy: -82.025
Dist. restrs. and SS energy: -205.200 (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: 458
Temperature: 1.200000
Total energy: -1197.002149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.002149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.002149 (E_RNA)
where:
Base-Base interactions energy: -671.071
where: short stacking energy: -259.881
Base-Backbone interact. energy: -3.143
local terms energy: -306.787997
where:
bonds (distance) C4'-P energy: -65.487
bonds (distance) P-C4' energy: -63.542
flat angles C4'-P-C4' energy: -62.018
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -71.284
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1145.589004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.589004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.989004 (E_RNA)
where:
Base-Base interactions energy: -647.763
where: short stacking energy: -249.134
Base-Backbone interact. energy: -2.515
local terms energy: -302.710972
where:
bonds (distance) C4'-P energy: -69.140
bonds (distance) P-C4' energy: -75.643
flat angles C4'-P-C4' energy: -70.201
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -56.805
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1125.526722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.526722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.726722 (E_RNA)
where:
Base-Base interactions energy: -634.878
where: short stacking energy: -254.743
Base-Backbone interact. energy: -0.490
local terms energy: -290.358535
where:
bonds (distance) C4'-P energy: -61.549
bonds (distance) P-C4' energy: -62.674
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: -64.567
Dist. restrs. and SS energy: -199.800 (S_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: -983.599146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.599146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.599146 (E_RNA)
where:
Base-Base interactions energy: -565.383
where: short stacking energy: -214.267
Base-Backbone interact. energy: -1.905
local terms energy: -236.311682
where:
bonds (distance) C4'-P energy: -44.120
bonds (distance) P-C4' energy: -52.354
flat angles C4'-P-C4' energy: -65.652
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1535.875793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.875793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.075793 (E_RNA)
where:
Base-Base interactions energy: -949.279
where: short stacking energy: -357.845
Base-Backbone interact. energy: -0.697
local terms energy: -377.099829
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -73.183
flat angles C4'-P-C4' energy: -83.277
flat angles P-C4'-P energy: -46.415
tors. eta vs tors. theta energy: -100.602
Dist. restrs. and SS energy: -208.800 (S_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: 459
Temperature: 0.950000
Total energy: -1494.698553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.698553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.698553 (E_RNA)
where:
Base-Base interactions energy: -910.030
where: short stacking energy: -369.320
Base-Backbone interact. energy: -4.322
local terms energy: -373.346376
where:
bonds (distance) C4'-P energy: -72.107
bonds (distance) P-C4' energy: -62.531
flat angles C4'-P-C4' energy: -85.353
flat angles P-C4'-P energy: -53.864
tors. eta vs tors. theta energy: -99.491
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1423.566745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.566745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.566745 (E_RNA)
where:
Base-Base interactions energy: -862.397
where: short stacking energy: -319.485
Base-Backbone interact. energy: -1.936
local terms energy: -361.233285
where:
bonds (distance) C4'-P energy: -68.467
bonds (distance) P-C4' energy: -73.363
flat angles C4'-P-C4' energy: -76.770
flat angles P-C4'-P energy: -55.326
tors. eta vs tors. theta energy: -87.307
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1361.301675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.301675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.301675 (E_RNA)
where:
Base-Base interactions energy: -795.673
where: short stacking energy: -316.413
Base-Backbone interact. energy: -1.121
local terms energy: -357.507465
where:
bonds (distance) C4'-P energy: -69.778
bonds (distance) P-C4' energy: -71.399
flat angles C4'-P-C4' energy: -81.310
flat angles P-C4'-P energy: -53.763
tors. eta vs tors. theta energy: -81.256
Dist. restrs. and SS energy: -207.000 (S_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: 459
Temperature: 1.100000
Total energy: -1327.468142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.468142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.068142 (E_RNA)
where:
Base-Base interactions energy: -806.763
where: short stacking energy: -321.383
Base-Backbone interact. energy: -1.210
local terms energy: -307.094668
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -71.453
flat angles C4'-P-C4' energy: -56.764
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -76.730
Dist. restrs. and SS energy: -212.400 (S_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: 459
Temperature: 1.150000
Total energy: -1316.342593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.342593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.142593 (E_RNA)
where:
Base-Base interactions energy: -796.397
where: short stacking energy: -310.295
Base-Backbone interact. energy: -2.837
local terms energy: -311.908273
where:
bonds (distance) C4'-P energy: -72.782
bonds (distance) P-C4' energy: -60.275
flat angles C4'-P-C4' energy: -63.777
flat angles P-C4'-P energy: -40.081
tors. eta vs tors. theta energy: -74.994
Dist. restrs. and SS energy: -205.200 (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: 459
Temperature: 1.200000
Total energy: -1202.591447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.591447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.591447 (E_RNA)
where:
Base-Base interactions energy: -673.057
where: short stacking energy: -233.561
Base-Backbone interact. energy: -4.091
local terms energy: -309.443361
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -65.569
flat angles P-C4'-P energy: -46.878
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1133.099912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.099912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.099912 (E_RNA)
where:
Base-Base interactions energy: -639.361
where: short stacking energy: -258.238
Base-Backbone interact. energy: -2.105
local terms energy: -293.634662
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -69.918
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -58.883
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1075.753360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.753360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.553360 (E_RNA)
where:
Base-Base interactions energy: -604.630
where: short stacking energy: -232.226
Base-Backbone interact. energy: -0.833
local terms energy: -265.090885
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -52.954
Dist. restrs. and SS energy: -205.200 (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: 459
Temperature: 1.350000
Total energy: -1005.761453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.761453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.561453 (E_RNA)
where:
Base-Base interactions energy: -556.906
where: short stacking energy: -214.071
Base-Backbone interact. energy: -0.557
local terms energy: -261.098734
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -65.921
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: -45.054
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1525.095202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.095202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.695202 (E_RNA)
where:
Base-Base interactions energy: -946.925
where: short stacking energy: -358.812
Base-Backbone interact. energy: 0.034
local terms energy: -374.804106
where:
bonds (distance) C4'-P energy: -67.780
bonds (distance) P-C4' energy: -72.649
flat angles C4'-P-C4' energy: -74.622
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -99.670
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1502.620999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.620999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.420999 (E_RNA)
where:
Base-Base interactions energy: -911.576
where: short stacking energy: -362.346
Base-Backbone interact. energy: -2.200
local terms energy: -383.644404
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -74.883
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -56.134
tors. eta vs tors. theta energy: -98.621
Dist. restrs. and SS energy: -205.200 (S_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: 460
Temperature: 1.000000
Total energy: -1405.593308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.593308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.593308 (E_RNA)
where:
Base-Base interactions energy: -855.460
where: short stacking energy: -343.608
Base-Backbone interact. energy: -3.444
local terms energy: -348.689153
where:
bonds (distance) C4'-P energy: -78.352
bonds (distance) P-C4' energy: -62.350
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1361.564718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.564718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.164718 (E_RNA)
where:
Base-Base interactions energy: -812.556
where: short stacking energy: -307.749
Base-Backbone interact. energy: 4.054
local terms energy: -340.662258
where:
bonds (distance) C4'-P energy: -60.365
bonds (distance) P-C4' energy: -78.228
flat angles C4'-P-C4' energy: -70.499
flat angles P-C4'-P energy: -63.617
tors. eta vs tors. theta energy: -67.953
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1319.520399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.520399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.120399 (E_RNA)
where:
Base-Base interactions energy: -764.475
where: short stacking energy: -309.820
Base-Backbone interact. energy: -1.101
local terms energy: -350.544347
where:
bonds (distance) C4'-P energy: -70.089
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -75.532
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -84.286
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1315.069566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.069566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.269566 (E_RNA)
where:
Base-Base interactions energy: -766.568
where: short stacking energy: -300.810
Base-Backbone interact. energy: -1.882
local terms energy: -337.820181
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -75.041
flat angles C4'-P-C4' energy: -72.034
flat angles P-C4'-P energy: -39.130
tors. eta vs tors. theta energy: -86.669
Dist. restrs. and SS energy: -208.800 (S_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: 460
Temperature: 1.200000
Total energy: -1220.716422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.716422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.516422 (E_RNA)
where:
Base-Base interactions energy: -708.823
where: short stacking energy: -263.168
Base-Backbone interact. energy: 2.055
local terms energy: -299.748563
where:
bonds (distance) C4'-P energy: -61.994
bonds (distance) P-C4' energy: -64.606
flat angles C4'-P-C4' energy: -64.797
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -67.582
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1110.554669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.554669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.354669 (E_RNA)
where:
Base-Base interactions energy: -621.346
where: short stacking energy: -261.313
Base-Backbone interact. energy: 1.304
local terms energy: -294.313191
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -72.587
flat angles C4'-P-C4' energy: -70.861
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -57.860
Dist. restrs. and SS energy: -196.200 (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: 460
Temperature: 1.300000
Total energy: -1109.778499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.778499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.378499 (E_RNA)
where:
Base-Base interactions energy: -618.345
where: short stacking energy: -238.112
Base-Backbone interact. energy: -1.619
local terms energy: -295.414559
where:
bonds (distance) C4'-P energy: -59.704
bonds (distance) P-C4' energy: -72.728
flat angles C4'-P-C4' energy: -72.730
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -51.194
Dist. restrs. and SS energy: -194.400 (S_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: 460
Temperature: 1.350000
Total energy: -1033.001936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.001936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.601936 (E_RNA)
where:
Base-Base interactions energy: -551.649
where: short stacking energy: -222.906
Base-Backbone interact. energy: 0.761
local terms energy: -296.713864
where:
bonds (distance) C4'-P energy: -61.181
bonds (distance) P-C4' energy: -76.350
flat angles C4'-P-C4' energy: -63.154
flat angles P-C4'-P energy: -46.631
tors. eta vs tors. theta energy: -49.397
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1494.902623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.902623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.102623 (E_RNA)
where:
Base-Base interactions energy: -915.653
where: short stacking energy: -349.094
Base-Backbone interact. energy: -3.977
local terms energy: -366.473000
where:
bonds (distance) C4'-P energy: -68.289
bonds (distance) P-C4' energy: -73.219
flat angles C4'-P-C4' energy: -82.526
flat angles P-C4'-P energy: -50.074
tors. eta vs tors. theta energy: -92.366
Dist. restrs. and SS energy: -208.800 (S_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: -1484.555513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.555513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.355513 (E_RNA)
where:
Base-Base interactions energy: -905.766
where: short stacking energy: -371.838
Base-Backbone interact. energy: 2.301
local terms energy: -375.890375
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -67.560
flat angles C4'-P-C4' energy: -88.008
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -96.002
Dist. restrs. and SS energy: -205.200 (S_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: 461
Temperature: 1.000000
Total energy: -1419.110482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.110482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.910482 (E_RNA)
where:
Base-Base interactions energy: -867.553
where: short stacking energy: -331.850
Base-Backbone interact. energy: -2.776
local terms energy: -352.581883
where:
bonds (distance) C4'-P energy: -68.671
bonds (distance) P-C4' energy: -63.232
flat angles C4'-P-C4' energy: -79.319
flat angles P-C4'-P energy: -50.901
tors. eta vs tors. theta energy: -90.460
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1356.100413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.100413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.500413 (E_RNA)
where:
Base-Base interactions energy: -819.018
where: short stacking energy: -311.485
Base-Backbone interact. energy: -0.477
local terms energy: -326.005517
where:
bonds (distance) C4'-P energy: -68.257
bonds (distance) P-C4' energy: -57.870
flat angles C4'-P-C4' energy: -84.472
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -74.164
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1311.110154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.110154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.310154 (E_RNA)
where:
Base-Base interactions energy: -778.037
where: short stacking energy: -319.594
Base-Backbone interact. energy: -3.355
local terms energy: -329.918130
where:
bonds (distance) C4'-P energy: -65.029
bonds (distance) P-C4' energy: -63.112
flat angles C4'-P-C4' energy: -69.401
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -85.707
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1306.673935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.673935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.073935 (E_RNA)
where:
Base-Base interactions energy: -775.074
where: short stacking energy: -319.885
Base-Backbone interact. energy: -0.973
local terms energy: -320.027221
where:
bonds (distance) C4'-P energy: -66.694
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -67.265
flat angles P-C4'-P energy: -33.158
tors. eta vs tors. theta energy: -79.147
Dist. restrs. and SS energy: -210.600 (S_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: 461
Temperature: 1.200000
Total energy: -1228.017864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.017864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.817864 (E_RNA)
where:
Base-Base interactions energy: -711.852
where: short stacking energy: -278.129
Base-Backbone interact. energy: -1.095
local terms energy: -300.871431
where:
bonds (distance) C4'-P energy: -62.680
bonds (distance) P-C4' energy: -62.460
flat angles C4'-P-C4' energy: -70.401
flat angles P-C4'-P energy: -42.426
tors. eta vs tors. theta energy: -62.904
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1131.502284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.502284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.902284 (E_RNA)
where:
Base-Base interactions energy: -649.894
where: short stacking energy: -259.295
Base-Backbone interact. energy: 5.062
local terms energy: -294.070072
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -64.131
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1037.026040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.026040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.626040 (E_RNA)
where:
Base-Base interactions energy: -575.766
where: short stacking energy: -209.557
Base-Backbone interact. energy: -3.479
local terms energy: -263.381240
where:
bonds (distance) C4'-P energy: -56.257
bonds (distance) P-C4' energy: -61.183
flat angles C4'-P-C4' energy: -61.972
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -46.699
Dist. restrs. and SS energy: -194.400 (S_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: 461
Temperature: 1.350000
Total energy: -981.684234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.684234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.484234 (E_RNA)
where:
Base-Base interactions energy: -546.552
where: short stacking energy: -216.424
Base-Backbone interact. energy: 1.100
local terms energy: -249.032329
where:
bonds (distance) C4'-P energy: -54.782
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -30.911
tors. eta vs tors. theta energy: -44.584
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1520.974152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.974152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.574152 (E_RNA)
where:
Base-Base interactions energy: -930.252
where: short stacking energy: -341.778
Base-Backbone interact. energy: -5.400
local terms energy: -381.921435
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -78.603
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -91.922
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1469.709949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.709949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.309949 (E_RNA)
where:
Base-Base interactions energy: -911.745
where: short stacking energy: -358.190
Base-Backbone interact. energy: -1.279
local terms energy: -353.285872
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -80.826
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -95.022
Dist. restrs. and SS energy: -203.400 (S_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: 462
Temperature: 1.000000
Total energy: -1415.455800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.455800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.855800 (E_RNA)
where:
Base-Base interactions energy: -853.714
where: short stacking energy: -342.541
Base-Backbone interact. energy: -1.769
local terms energy: -358.372775
where:
bonds (distance) C4'-P energy: -66.117
bonds (distance) P-C4' energy: -71.160
flat angles C4'-P-C4' energy: -83.030
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -79.824
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1379.874266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.874266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.874266 (E_RNA)
where:
Base-Base interactions energy: -821.975
where: short stacking energy: -302.144
Base-Backbone interact. energy: -0.230
local terms energy: -350.669004
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -75.755
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -85.335
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1347.808675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.808675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.608675 (E_RNA)
where:
Base-Base interactions energy: -808.446
where: short stacking energy: -328.825
Base-Backbone interact. energy: -1.847
local terms energy: -332.315097
where:
bonds (distance) C4'-P energy: -59.341
bonds (distance) P-C4' energy: -71.569
flat angles C4'-P-C4' energy: -67.591
flat angles P-C4'-P energy: -48.756
tors. eta vs tors. theta energy: -85.059
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1325.353111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.353111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.753111 (E_RNA)
where:
Base-Base interactions energy: -786.134
where: short stacking energy: -311.536
Base-Backbone interact. energy: -2.113
local terms energy: -326.505898
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -59.825
flat angles C4'-P-C4' energy: -68.857
flat angles P-C4'-P energy: -50.919
tors. eta vs tors. theta energy: -83.927
Dist. restrs. and SS energy: -210.600 (S_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: 462
Temperature: 1.200000
Total energy: -1225.832097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.832097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.232097 (E_RNA)
where:
Base-Base interactions energy: -709.712
where: short stacking energy: -263.343
Base-Backbone interact. energy: -2.037
local terms energy: -303.483087
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -63.294
flat angles C4'-P-C4' energy: -67.894
flat angles P-C4'-P energy: -55.289
tors. eta vs tors. theta energy: -58.005
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1146.319540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.319540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.319540 (E_RNA)
where:
Base-Base interactions energy: -647.204
where: short stacking energy: -265.734
Base-Backbone interact. energy: -1.517
local terms energy: -299.598047
where:
bonds (distance) C4'-P energy: -57.257
bonds (distance) P-C4' energy: -65.048
flat angles C4'-P-C4' energy: -75.039
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -65.838
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1092.437755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.437755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.837755 (E_RNA)
where:
Base-Base interactions energy: -625.007
where: short stacking energy: -239.844
Base-Backbone interact. energy: -2.379
local terms energy: -254.451722
where:
bonds (distance) C4'-P energy: -48.790
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -54.458
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -49.423
Dist. restrs. and SS energy: -210.600 (S_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: 462
Temperature: 1.350000
Total energy: -974.955518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.955518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.955518 (E_RNA)
where:
Base-Base interactions energy: -559.852
where: short stacking energy: -212.329
Base-Backbone interact. energy: 0.283
local terms energy: -235.386015
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -64.156
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -45.169
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1532.466870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.466870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.666870 (E_RNA)
where:
Base-Base interactions energy: -929.504
where: short stacking energy: -355.283
Base-Backbone interact. energy: -6.332
local terms energy: -387.830947
where:
bonds (distance) C4'-P energy: -74.510
bonds (distance) P-C4' energy: -77.161
flat angles C4'-P-C4' energy: -79.832
flat angles P-C4'-P energy: -57.268
tors. eta vs tors. theta energy: -99.060
Dist. restrs. and SS energy: -208.800 (S_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: 463
Temperature: 0.950000
Total energy: -1458.263221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.263221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.863221 (E_RNA)
where:
Base-Base interactions energy: -876.080
where: short stacking energy: -355.609
Base-Backbone interact. energy: -2.180
local terms energy: -376.603736
where:
bonds (distance) C4'-P energy: -63.187
bonds (distance) P-C4' energy: -67.331
flat angles C4'-P-C4' energy: -89.976
flat angles P-C4'-P energy: -53.810
tors. eta vs tors. theta energy: -102.301
Dist. restrs. and SS energy: -203.400 (S_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: 463
Temperature: 1.000000
Total energy: -1413.565083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.565083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.765083 (E_RNA)
where:
Base-Base interactions energy: -863.615
where: short stacking energy: -356.014
Base-Backbone interact. energy: 1.807
local terms energy: -351.956429
where:
bonds (distance) C4'-P energy: -69.187
bonds (distance) P-C4' energy: -58.215
flat angles C4'-P-C4' energy: -79.966
flat angles P-C4'-P energy: -56.066
tors. eta vs tors. theta energy: -88.522
Dist. restrs. and SS energy: -199.800 (S_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: 463
Temperature: 1.050000
Total energy: -1330.345099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.345099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.345099 (E_RNA)
where:
Base-Base interactions energy: -789.950
where: short stacking energy: -323.613
Base-Backbone interact. energy: -2.524
local terms energy: -330.870695
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -69.889
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -50.167
tors. eta vs tors. theta energy: -83.753
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1353.811957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.811957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.211957 (E_RNA)
where:
Base-Base interactions energy: -822.860
where: short stacking energy: -317.606
Base-Backbone interact. energy: 5.081
local terms energy: -325.433244
where:
bonds (distance) C4'-P energy: -69.859
bonds (distance) P-C4' energy: -62.894
flat angles C4'-P-C4' energy: -69.035
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -81.545
Dist. restrs. and SS energy: -210.600 (S_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: 463
Temperature: 1.150000
Total energy: -1249.983039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.983039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.583039 (E_RNA)
where:
Base-Base interactions energy: -736.663
where: short stacking energy: -278.639
Base-Backbone interact. energy: 0.070
local terms energy: -300.990819
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -67.017
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -71.955
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1288.765964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.765964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.565964 (E_RNA)
where:
Base-Base interactions energy: -731.097
where: short stacking energy: -300.607
Base-Backbone interact. energy: -2.121
local terms energy: -341.348248
where:
bonds (distance) C4'-P energy: -63.501
bonds (distance) P-C4' energy: -64.969
flat angles C4'-P-C4' energy: -73.938
flat angles P-C4'-P energy: -56.789
tors. eta vs tors. theta energy: -82.151
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1143.275135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.275135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.875135 (E_RNA)
where:
Base-Base interactions energy: -664.301
where: short stacking energy: -256.236
Base-Backbone interact. energy: 1.041
local terms energy: -267.614221
where:
bonds (distance) C4'-P energy: -45.887
bonds (distance) P-C4' energy: -60.887
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -62.551
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1151.161232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.161232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.961232 (E_RNA)
where:
Base-Base interactions energy: -682.072
where: short stacking energy: -254.060
Base-Backbone interact. energy: 3.416
local terms energy: -285.304584
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -64.739
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -33.636
tors. eta vs tors. theta energy: -65.961
Dist. restrs. and SS energy: -187.200 (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: 463
Temperature: 1.350000
Total energy: -987.193247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.193247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.193247 (E_RNA)
where:
Base-Base interactions energy: -545.344
where: short stacking energy: -221.442
Base-Backbone interact. energy: -1.336
local terms energy: -251.513787
where:
bonds (distance) C4'-P energy: -61.051
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -50.970
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -43.489
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1514.778991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.778991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.378991 (E_RNA)
where:
Base-Base interactions energy: -928.268
where: short stacking energy: -358.453
Base-Backbone interact. energy: -0.532
local terms energy: -382.578341
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -74.321
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -54.653
tors. eta vs tors. theta energy: -100.661
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1466.787963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.787963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.387963 (E_RNA)
where:
Base-Base interactions energy: -879.520
where: short stacking energy: -342.574
Base-Backbone interact. energy: -3.068
local terms energy: -380.799874
where:
bonds (distance) C4'-P energy: -69.118
bonds (distance) P-C4' energy: -71.609
flat angles C4'-P-C4' energy: -87.956
flat angles P-C4'-P energy: -61.937
tors. eta vs tors. theta energy: -90.180
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1412.673037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.673037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.673037 (E_RNA)
where:
Base-Base interactions energy: -866.216
where: short stacking energy: -331.794
Base-Backbone interact. energy: 2.097
local terms energy: -350.553764
where:
bonds (distance) C4'-P energy: -63.080
bonds (distance) P-C4' energy: -71.155
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -48.414
tors. eta vs tors. theta energy: -88.265
Dist. restrs. and SS energy: -198.000 (S_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: 464
Temperature: 1.050000
Total energy: -1335.741963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.741963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.741963 (E_RNA)
where:
Base-Base interactions energy: -784.467
where: short stacking energy: -324.467
Base-Backbone interact. energy: -1.166
local terms energy: -352.109086
where:
bonds (distance) C4'-P energy: -57.629
bonds (distance) P-C4' energy: -72.620
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -55.342
tors. eta vs tors. theta energy: -89.702
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1341.824352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.824352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.224352 (E_RNA)
where:
Base-Base interactions energy: -796.438
where: short stacking energy: -310.082
Base-Backbone interact. energy: 0.824
local terms energy: -335.610509
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -76.144
flat angles C4'-P-C4' energy: -72.295
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -75.468
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1235.544909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.544909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.944909 (E_RNA)
where:
Base-Base interactions energy: -712.710
where: short stacking energy: -303.687
Base-Backbone interact. energy: -0.624
local terms energy: -311.611297
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -69.768
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -63.597
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1285.936275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.936275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.736275 (E_RNA)
where:
Base-Base interactions energy: -753.429
where: short stacking energy: -285.738
Base-Backbone interact. energy: -0.692
local terms energy: -317.615727
where:
bonds (distance) C4'-P energy: -74.624
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -76.353
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1182.565160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.565160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.165160 (E_RNA)
where:
Base-Base interactions energy: -695.575
where: short stacking energy: -267.192
Base-Backbone interact. energy: -1.048
local terms energy: -273.542407
where:
bonds (distance) C4'-P energy: -41.444
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -68.191
flat angles P-C4'-P energy: -44.230
tors. eta vs tors. theta energy: -64.394
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1121.668238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.668238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.868238 (E_RNA)
where:
Base-Base interactions energy: -658.725
where: short stacking energy: -267.480
Base-Backbone interact. energy: 4.845
local terms energy: -276.987308
where:
bonds (distance) C4'-P energy: -48.030
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -69.507
flat angles P-C4'-P energy: -45.741
tors. eta vs tors. theta energy: -63.893
Dist. restrs. and SS energy: -190.800 (S_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: -986.324490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.324490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.724490 (E_RNA)
where:
Base-Base interactions energy: -567.975
where: short stacking energy: -226.345
Base-Backbone interact. energy: -0.587
local terms energy: -225.161971
where:
bonds (distance) C4'-P energy: -45.431
bonds (distance) P-C4' energy: -41.373
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -58.042
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1526.584003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.584003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.584003 (E_RNA)
where:
Base-Base interactions energy: -933.377
where: short stacking energy: -356.284
Base-Backbone interact. energy: -2.166
local terms energy: -384.041739
where:
bonds (distance) C4'-P energy: -71.805
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -82.527
flat angles P-C4'-P energy: -54.026
tors. eta vs tors. theta energy: -97.642
Dist. restrs. and SS energy: -207.000 (S_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: -1448.809416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.809416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.809416 (E_RNA)
where:
Base-Base interactions energy: -864.883
where: short stacking energy: -342.220
Base-Backbone interact. energy: -2.376
local terms energy: -374.550585
where:
bonds (distance) C4'-P energy: -73.431
bonds (distance) P-C4' energy: -72.822
flat angles C4'-P-C4' energy: -76.481
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -93.644
Dist. restrs. and SS energy: -207.000 (S_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: 465
Temperature: 1.000000
Total energy: -1447.962073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.962073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.962073 (E_RNA)
where:
Base-Base interactions energy: -895.381
where: short stacking energy: -351.593
Base-Backbone interact. energy: -1.774
local terms energy: -352.806669
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -68.779
flat angles C4'-P-C4' energy: -72.194
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -93.543
Dist. restrs. and SS energy: -198.000 (S_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: 465
Temperature: 1.050000
Total energy: -1308.698232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.698232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.098232 (E_RNA)
where:
Base-Base interactions energy: -771.777
where: short stacking energy: -322.038
Base-Backbone interact. energy: -3.281
local terms energy: -332.039358
where:
bonds (distance) C4'-P energy: -58.022
bonds (distance) P-C4' energy: -69.326
flat angles C4'-P-C4' energy: -78.425
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -83.361
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1324.564440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.564440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.964440 (E_RNA)
where:
Base-Base interactions energy: -796.352
where: short stacking energy: -301.894
Base-Backbone interact. energy: -2.167
local terms energy: -315.445181
where:
bonds (distance) C4'-P energy: -65.129
bonds (distance) P-C4' energy: -72.855
flat angles C4'-P-C4' energy: -68.857
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -77.559
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1301.173647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.173647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.373647 (E_RNA)
where:
Base-Base interactions energy: -767.223
where: short stacking energy: -283.766
Base-Backbone interact. energy: -1.192
local terms energy: -323.958514
where:
bonds (distance) C4'-P energy: -64.088
bonds (distance) P-C4' energy: -63.527
flat angles C4'-P-C4' energy: -67.502
flat angles P-C4'-P energy: -53.757
tors. eta vs tors. theta energy: -75.085
Dist. restrs. and SS energy: -208.800 (S_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: 465
Temperature: 1.200000
Total energy: -1246.605726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.605726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.405726 (E_RNA)
where:
Base-Base interactions energy: -721.778
where: short stacking energy: -294.514
Base-Backbone interact. energy: -1.008
local terms energy: -318.620011
where:
bonds (distance) C4'-P energy: -63.800
bonds (distance) P-C4' energy: -62.794
flat angles C4'-P-C4' energy: -80.040
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -70.321
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1180.676526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.676526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.676526 (E_RNA)
where:
Base-Base interactions energy: -671.413
where: short stacking energy: -280.986
Base-Backbone interact. energy: 0.809
local terms energy: -312.072412
where:
bonds (distance) C4'-P energy: -64.298
bonds (distance) P-C4' energy: -78.072
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -35.033
tors. eta vs tors. theta energy: -71.416
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1107.948626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.948626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.148626 (E_RNA)
where:
Base-Base interactions energy: -654.492
where: short stacking energy: -247.035
Base-Backbone interact. energy: -1.564
local terms energy: -252.092624
where:
bonds (distance) C4'-P energy: -58.810
bonds (distance) P-C4' energy: -65.991
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -43.606
Dist. restrs. and SS energy: -199.800 (S_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: -1012.461649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.461649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.061649 (E_RNA)
where:
Base-Base interactions energy: -575.354
where: short stacking energy: -240.262
Base-Backbone interact. energy: 1.364
local terms energy: -253.071732
where:
bonds (distance) C4'-P energy: -41.900
bonds (distance) P-C4' energy: -49.640
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -58.207
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1501.435971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.435971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.635971 (E_RNA)
where:
Base-Base interactions energy: -919.515
where: short stacking energy: -347.273
Base-Backbone interact. energy: 2.375
local terms energy: -375.496448
where:
bonds (distance) C4'-P energy: -63.990
bonds (distance) P-C4' energy: -69.563
flat angles C4'-P-C4' energy: -78.214
flat angles P-C4'-P energy: -65.565
tors. eta vs tors. theta energy: -98.164
Dist. restrs. and SS energy: -208.800 (S_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: 466
Temperature: 0.950000
Total energy: -1424.735938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.735938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.135938 (E_RNA)
where:
Base-Base interactions energy: -858.295
where: short stacking energy: -337.993
Base-Backbone interact. energy: -0.296
local terms energy: -364.545219
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -78.334
flat angles C4'-P-C4' energy: -78.258
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -90.008
Dist. restrs. and SS energy: -201.600 (S_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: 466
Temperature: 1.000000
Total energy: -1399.909372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.909372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.709372 (E_RNA)
where:
Base-Base interactions energy: -847.064
where: short stacking energy: -344.324
Base-Backbone interact. energy: -2.434
local terms energy: -354.211788
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -73.643
flat angles C4'-P-C4' energy: -80.329
flat angles P-C4'-P energy: -48.304
tors. eta vs tors. theta energy: -88.890
Dist. restrs. and SS energy: -196.200 (S_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: 466
Temperature: 1.050000
Total energy: -1334.351241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.351241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.551241 (E_RNA)
where:
Base-Base interactions energy: -784.339
where: short stacking energy: -332.879
Base-Backbone interact. energy: -3.080
local terms energy: -347.132395
where:
bonds (distance) C4'-P energy: -59.790
bonds (distance) P-C4' energy: -70.600
flat angles C4'-P-C4' energy: -84.605
flat angles P-C4'-P energy: -46.301
tors. eta vs tors. theta energy: -85.836
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1323.189869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.189869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.989869 (E_RNA)
where:
Base-Base interactions energy: -779.194
where: short stacking energy: -296.454
Base-Backbone interact. energy: -2.029
local terms energy: -327.766581
where:
bonds (distance) C4'-P energy: -73.018
bonds (distance) P-C4' energy: -70.936
flat angles C4'-P-C4' energy: -73.215
flat angles P-C4'-P energy: -47.313
tors. eta vs tors. theta energy: -63.284
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1296.700318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.700318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.500318 (E_RNA)
where:
Base-Base interactions energy: -789.248
where: short stacking energy: -286.984
Base-Backbone interact. energy: -3.269
local terms energy: -289.983468
where:
bonds (distance) C4'-P energy: -53.756
bonds (distance) P-C4' energy: -51.873
flat angles C4'-P-C4' energy: -72.823
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -65.820
Dist. restrs. and SS energy: -214.200 (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: 466
Temperature: 1.200000
Total energy: -1225.814315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.814315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.214315 (E_RNA)
where:
Base-Base interactions energy: -720.553
where: short stacking energy: -286.979
Base-Backbone interact. energy: -0.188
local terms energy: -294.473048
where:
bonds (distance) C4'-P energy: -51.686
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -68.490
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -74.639
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1170.422982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.422982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.822982 (E_RNA)
where:
Base-Base interactions energy: -680.519
where: short stacking energy: -259.488
Base-Backbone interact. energy: 0.105
local terms energy: -279.409131
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -56.358
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -58.014
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1134.679791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.679791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.679791 (E_RNA)
where:
Base-Base interactions energy: -668.475
where: short stacking energy: -267.441
Base-Backbone interact. energy: 1.023
local terms energy: -269.227639
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -70.177
Dist. restrs. and SS energy: -198.000 (S_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: 466
Temperature: 1.350000
Total energy: -985.306271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.306271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.906271 (E_RNA)
where:
Base-Base interactions energy: -521.131
where: short stacking energy: -225.606
Base-Backbone interact. energy: 1.916
local terms energy: -280.691636
where:
bonds (distance) C4'-P energy: -56.349
bonds (distance) P-C4' energy: -57.343
flat angles C4'-P-C4' energy: -69.417
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -59.312
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1513.745319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.745319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.745319 (E_RNA)
where:
Base-Base interactions energy: -908.915
where: short stacking energy: -344.832
Base-Backbone interact. energy: -0.716
local terms energy: -397.114289
where:
bonds (distance) C4'-P energy: -73.091
bonds (distance) P-C4' energy: -81.948
flat angles C4'-P-C4' energy: -87.738
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -98.296
Dist. restrs. and SS energy: -207.000 (S_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: 467
Temperature: 0.950000
Total energy: -1450.047522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.047522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.247522 (E_RNA)
where:
Base-Base interactions energy: -870.637
where: short stacking energy: -345.153
Base-Backbone interact. energy: 0.362
local terms energy: -370.972340
where:
bonds (distance) C4'-P energy: -74.060
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -81.161
flat angles P-C4'-P energy: -52.197
tors. eta vs tors. theta energy: -100.380
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1414.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.405884 (E_RNA)
where:
Base-Base interactions energy: -857.481
where: short stacking energy: -332.832
Base-Backbone interact. energy: -2.276
local terms energy: -356.648704
where:
bonds (distance) C4'-P energy: -69.869
bonds (distance) P-C4' energy: -73.288
flat angles C4'-P-C4' energy: -73.181
flat angles P-C4'-P energy: -55.461
tors. eta vs tors. theta energy: -84.850
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1346.701123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.701123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.901123 (E_RNA)
where:
Base-Base interactions energy: -808.374
where: short stacking energy: -327.982
Base-Backbone interact. energy: -1.774
local terms energy: -327.754079
where:
bonds (distance) C4'-P energy: -57.439
bonds (distance) P-C4' energy: -71.711
flat angles C4'-P-C4' energy: -77.865
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -79.289
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1326.447799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.447799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.447799 (E_RNA)
where:
Base-Base interactions energy: -779.642
where: short stacking energy: -287.850
Base-Backbone interact. energy: -2.814
local terms energy: -327.992402
where:
bonds (distance) C4'-P energy: -68.718
bonds (distance) P-C4' energy: -59.229
flat angles C4'-P-C4' energy: -78.446
flat angles P-C4'-P energy: -51.994
tors. eta vs tors. theta energy: -69.605
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1327.963700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.963700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.363700 (E_RNA)
where:
Base-Base interactions energy: -775.909
where: short stacking energy: -312.661
Base-Backbone interact. energy: -3.618
local terms energy: -337.836373
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -77.142
flat angles C4'-P-C4' energy: -76.636
flat angles P-C4'-P energy: -51.468
tors. eta vs tors. theta energy: -79.797
Dist. restrs. and SS energy: -210.600 (S_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: 467
Temperature: 1.200000
Total energy: -1230.293064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.293064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.493064 (E_RNA)
where:
Base-Base interactions energy: -695.137
where: short stacking energy: -274.444
Base-Backbone interact. energy: 0.114
local terms energy: -326.470269
where:
bonds (distance) C4'-P energy: -61.854
bonds (distance) P-C4' energy: -66.188
flat angles C4'-P-C4' energy: -71.610
flat angles P-C4'-P energy: -56.969
tors. eta vs tors. theta energy: -69.850
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1190.842908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.842908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.242908 (E_RNA)
where:
Base-Base interactions energy: -669.826
where: short stacking energy: -264.763
Base-Backbone interact. energy: -1.613
local terms energy: -308.803828
where:
bonds (distance) C4'-P energy: -59.355
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -77.345
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -71.211
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1122.289862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.289862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.489862 (E_RNA)
where:
Base-Base interactions energy: -643.017
where: short stacking energy: -239.720
Base-Backbone interact. energy: 1.352
local terms energy: -280.824628
where:
bonds (distance) C4'-P energy: -56.516
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -70.452
flat angles P-C4'-P energy: -44.485
tors. eta vs tors. theta energy: -59.687
Dist. restrs. and SS energy: -199.800 (S_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: 467
Temperature: 1.350000
Total energy: -988.599065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.599065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.599065 (E_RNA)
where:
Base-Base interactions energy: -553.249
where: short stacking energy: -211.168
Base-Backbone interact. energy: -2.421
local terms energy: -252.929281
where:
bonds (distance) C4'-P energy: -50.670
bonds (distance) P-C4' energy: -57.380
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -44.198
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1514.541366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.541366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.741366 (E_RNA)
where:
Base-Base interactions energy: -931.653
where: short stacking energy: -350.242
Base-Backbone interact. energy: 0.580
local terms energy: -374.668221
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -72.308
flat angles C4'-P-C4' energy: -79.533
flat angles P-C4'-P energy: -54.915
tors. eta vs tors. theta energy: -96.366
Dist. restrs. and SS energy: -208.800 (S_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: -1430.607130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.607130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.407130 (E_RNA)
where:
Base-Base interactions energy: -867.783
where: short stacking energy: -362.642
Base-Backbone interact. energy: 1.063
local terms energy: -358.687081
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -64.171
flat angles C4'-P-C4' energy: -87.455
flat angles P-C4'-P energy: -55.623
tors. eta vs tors. theta energy: -93.839
Dist. restrs. and SS energy: -205.200 (S_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: 468
Temperature: 1.000000
Total energy: -1403.398446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.398446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.398446 (E_RNA)
where:
Base-Base interactions energy: -846.229
where: short stacking energy: -315.342
Base-Backbone interact. energy: -4.790
local terms energy: -354.379148
where:
bonds (distance) C4'-P energy: -72.369
bonds (distance) P-C4' energy: -69.222
flat angles C4'-P-C4' energy: -83.128
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -83.341
Dist. restrs. and SS energy: -198.000 (S_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: -1326.002885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.002885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.202885 (E_RNA)
where:
Base-Base interactions energy: -770.976
where: short stacking energy: -316.141
Base-Backbone interact. energy: -2.169
local terms energy: -344.057792
where:
bonds (distance) C4'-P energy: -62.364
bonds (distance) P-C4' energy: -80.439
flat angles C4'-P-C4' energy: -77.142
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -79.296
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1329.123580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.123580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.923580 (E_RNA)
where:
Base-Base interactions energy: -785.305
where: short stacking energy: -323.562
Base-Backbone interact. energy: -2.805
local terms energy: -326.813455
where:
bonds (distance) C4'-P energy: -66.599
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -70.082
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -80.105
Dist. restrs. and SS energy: -214.200 (S_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: 468
Temperature: 1.150000
Total energy: -1280.054778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.054778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.654778 (E_RNA)
where:
Base-Base interactions energy: -784.712
where: short stacking energy: -285.776
Base-Backbone interact. energy: -3.089
local terms energy: -279.853869
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -55.477
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -63.831
Dist. restrs. and SS energy: -212.400 (S_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: 468
Temperature: 1.200000
Total energy: -1236.807717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.807717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.207717 (E_RNA)
where:
Base-Base interactions energy: -726.729
where: short stacking energy: -275.906
Base-Backbone interact. energy: -2.914
local terms energy: -296.564458
where:
bonds (distance) C4'-P energy: -59.684
bonds (distance) P-C4' energy: -57.300
flat angles C4'-P-C4' energy: -77.894
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -63.902
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1119.172886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.172886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.572886 (E_RNA)
where:
Base-Base interactions energy: -622.709
where: short stacking energy: -242.473
Base-Backbone interact. energy: 0.687
local terms energy: -295.551598
where:
bonds (distance) C4'-P energy: -62.792
bonds (distance) P-C4' energy: -69.746
flat angles C4'-P-C4' energy: -68.791
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -50.160
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1096.185913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.185913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.185913 (E_RNA)
where:
Base-Base interactions energy: -636.864
where: short stacking energy: -227.592
Base-Backbone interact. energy: 0.279
local terms energy: -261.601079
where:
bonds (distance) C4'-P energy: -54.734
bonds (distance) P-C4' energy: -55.544
flat angles C4'-P-C4' energy: -77.640
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: -198.000 (S_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: 468
Temperature: 1.350000
Total energy: -1004.060074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.060074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.860074 (E_RNA)
where:
Base-Base interactions energy: -568.467
where: short stacking energy: -243.796
Base-Backbone interact. energy: -2.354
local terms energy: -246.038964
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -53.411
flat angles C4'-P-C4' energy: -70.424
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -44.081
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1516.000679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.000679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.200679 (E_RNA)
where:
Base-Base interactions energy: -933.735
where: short stacking energy: -351.956
Base-Backbone interact. energy: -1.083
local terms energy: -372.382800
where:
bonds (distance) C4'-P energy: -71.089
bonds (distance) P-C4' energy: -64.903
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -58.416
tors. eta vs tors. theta energy: -95.894
Dist. restrs. and SS energy: -208.800 (S_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: 469
Temperature: 0.950000
Total energy: -1448.466518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.466518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.266518 (E_RNA)
where:
Base-Base interactions energy: -880.677
where: short stacking energy: -359.701
Base-Backbone interact. energy: -2.932
local terms energy: -359.657458
where:
bonds (distance) C4'-P energy: -67.643
bonds (distance) P-C4' energy: -71.320
flat angles C4'-P-C4' energy: -79.430
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -92.290
Dist. restrs. and SS energy: -205.200 (S_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: 469
Temperature: 1.000000
Total energy: -1412.566048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.566048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.966048 (E_RNA)
where:
Base-Base interactions energy: -844.372
where: short stacking energy: -329.454
Base-Backbone interact. energy: -2.598
local terms energy: -363.996467
where:
bonds (distance) C4'-P energy: -73.443
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -75.423
flat angles P-C4'-P energy: -57.598
tors. eta vs tors. theta energy: -85.163
Dist. restrs. and SS energy: -201.600 (S_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: 469
Temperature: 1.050000
Total energy: -1353.658358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.658358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.058358 (E_RNA)
where:
Base-Base interactions energy: -803.263
where: short stacking energy: -329.216
Base-Backbone interact. energy: 2.178
local terms energy: -341.973554
where:
bonds (distance) C4'-P energy: -76.561
bonds (distance) P-C4' energy: -71.742
flat angles C4'-P-C4' energy: -73.128
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -72.619
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1309.334204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.334204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.934204 (E_RNA)
where:
Base-Base interactions energy: -774.115
where: short stacking energy: -321.634
Base-Backbone interact. energy: -1.551
local terms energy: -330.268480
where:
bonds (distance) C4'-P energy: -64.840
bonds (distance) P-C4' energy: -65.097
flat angles C4'-P-C4' energy: -73.995
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1285.609393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.609393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.209393 (E_RNA)
where:
Base-Base interactions energy: -761.391
where: short stacking energy: -272.952
Base-Backbone interact. energy: 0.091
local terms energy: -311.908480
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -67.221
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -74.715
Dist. restrs. and SS energy: -212.400 (S_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: 469
Temperature: 1.200000
Total energy: -1215.656945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.656945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.456945 (E_RNA)
where:
Base-Base interactions energy: -700.301
where: short stacking energy: -273.974
Base-Backbone interact. energy: 1.157
local terms energy: -302.312805
where:
bonds (distance) C4'-P energy: -62.359
bonds (distance) P-C4' energy: -57.884
flat angles C4'-P-C4' energy: -68.181
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -65.499
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1140.287204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.287204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.687204 (E_RNA)
where:
Base-Base interactions energy: -650.489
where: short stacking energy: -257.408
Base-Backbone interact. energy: -0.078
local terms energy: -288.120360
where:
bonds (distance) C4'-P energy: -51.838
bonds (distance) P-C4' energy: -63.303
flat angles C4'-P-C4' energy: -67.221
flat angles P-C4'-P energy: -50.578
tors. eta vs tors. theta energy: -55.181
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1091.722848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.722848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.722848 (E_RNA)
where:
Base-Base interactions energy: -632.164
where: short stacking energy: -255.909
Base-Backbone interact. energy: -0.326
local terms energy: -261.233215
where:
bonds (distance) C4'-P energy: -49.969
bonds (distance) P-C4' energy: -51.735
flat angles C4'-P-C4' energy: -60.373
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -54.388
Dist. restrs. and SS energy: -198.000 (S_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: 469
Temperature: 1.350000
Total energy: -1050.864746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.864746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.664746 (E_RNA)
where:
Base-Base interactions energy: -591.048
where: short stacking energy: -246.663
Base-Backbone interact. energy: -0.061
local terms energy: -272.556078
where:
bonds (distance) C4'-P energy: -60.758
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -58.846
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1522.595770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.595770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.395770 (E_RNA)
where:
Base-Base interactions energy: -931.964
where: short stacking energy: -354.806
Base-Backbone interact. energy: -2.602
local terms energy: -382.829245
where:
bonds (distance) C4'-P energy: -67.938
bonds (distance) P-C4' energy: -74.842
flat angles C4'-P-C4' energy: -86.197
flat angles P-C4'-P energy: -52.920
tors. eta vs tors. theta energy: -100.933
Dist. restrs. and SS energy: -205.200 (S_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: 470
Temperature: 0.950000
Total energy: -1458.333325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.333325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.933325 (E_RNA)
where:
Base-Base interactions energy: -870.621
where: short stacking energy: -358.453
Base-Backbone interact. energy: -2.675
local terms energy: -381.637555
where:
bonds (distance) C4'-P energy: -75.299
bonds (distance) P-C4' energy: -75.387
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -93.754
Dist. restrs. and SS energy: -203.400 (S_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: 470
Temperature: 1.000000
Total energy: -1392.395605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.395605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.995605 (E_RNA)
where:
Base-Base interactions energy: -830.322
where: short stacking energy: -339.212
Base-Backbone interact. energy: -2.636
local terms energy: -347.037572
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -69.439
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -49.662
tors. eta vs tors. theta energy: -87.358
Dist. restrs. and SS energy: -212.400 (S_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: 470
Temperature: 1.050000
Total energy: -1392.626397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.626397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.426397 (E_RNA)
where:
Base-Base interactions energy: -857.395
where: short stacking energy: -345.248
Base-Backbone interact. energy: -2.748
local terms energy: -336.282696
where:
bonds (distance) C4'-P energy: -67.089
bonds (distance) P-C4' energy: -65.683
flat angles C4'-P-C4' energy: -75.894
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -85.573
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1332.021319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.021319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.621319 (E_RNA)
where:
Base-Base interactions energy: -790.405
where: short stacking energy: -311.435
Base-Backbone interact. energy: -1.128
local terms energy: -328.088363
where:
bonds (distance) C4'-P energy: -71.937
bonds (distance) P-C4' energy: -57.737
flat angles C4'-P-C4' energy: -75.253
flat angles P-C4'-P energy: -50.717
tors. eta vs tors. theta energy: -72.445
Dist. restrs. and SS energy: -212.400 (S_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: 470
Temperature: 1.150000
Total energy: -1280.086363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.086363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.286363 (E_RNA)
where:
Base-Base interactions energy: -742.463
where: short stacking energy: -295.150
Base-Backbone interact. energy: -0.209
local terms energy: -337.614416
where:
bonds (distance) C4'-P energy: -71.270
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -47.381
tors. eta vs tors. theta energy: -76.807
Dist. restrs. and SS energy: -199.800 (S_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: 470
Temperature: 1.200000
Total energy: -1194.400789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.400789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.400789 (E_RNA)
where:
Base-Base interactions energy: -691.093
where: short stacking energy: -267.744
Base-Backbone interact. energy: -1.720
local terms energy: -303.587696
where:
bonds (distance) C4'-P energy: -67.334
bonds (distance) P-C4' energy: -57.845
flat angles C4'-P-C4' energy: -71.363
flat angles P-C4'-P energy: -40.609
tors. eta vs tors. theta energy: -66.436
Dist. restrs. and SS energy: -198.000 (S_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: 470
Temperature: 1.250000
Total energy: -1186.948654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.948654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.748654 (E_RNA)
where:
Base-Base interactions energy: -696.456
where: short stacking energy: -263.167
Base-Backbone interact. energy: -1.086
local terms energy: -284.206394
where:
bonds (distance) C4'-P energy: -49.329
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -58.209
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: -57.343
Dist. restrs. and SS energy: -205.200 (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: 470
Temperature: 1.300000
Total energy: -1095.679983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.679983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.079983 (E_RNA)
where:
Base-Base interactions energy: -645.606
where: short stacking energy: -259.178
Base-Backbone interact. energy: 2.719
local terms energy: -260.192307
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -63.992
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: -50.058
Dist. restrs. and SS energy: -192.600 (S_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: -995.573012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.573012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.973012 (E_RNA)
where:
Base-Base interactions energy: -568.381
where: short stacking energy: -218.601
Base-Backbone interact. energy: 2.465
local terms energy: -237.056270
where:
bonds (distance) C4'-P energy: -66.804
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -54.823
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -43.378
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1532.004265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.004265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.204265 (E_RNA)
where:
Base-Base interactions energy: -926.996
where: short stacking energy: -351.322
Base-Backbone interact. energy: -1.531
local terms energy: -394.677468
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -82.101
flat angles P-C4'-P energy: -57.650
tors. eta vs tors. theta energy: -100.048
Dist. restrs. and SS energy: -208.800 (S_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: 471
Temperature: 0.950000
Total energy: -1452.821708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.821708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.821708 (E_RNA)
where:
Base-Base interactions energy: -847.921
where: short stacking energy: -336.221
Base-Backbone interact. energy: -1.543
local terms energy: -396.358142
where:
bonds (distance) C4'-P energy: -73.877
bonds (distance) P-C4' energy: -85.358
flat angles C4'-P-C4' energy: -85.631
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -91.099
Dist. restrs. and SS energy: -207.000 (S_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: 471
Temperature: 1.000000
Total energy: -1390.504177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.504177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.704177 (E_RNA)
where:
Base-Base interactions energy: -838.040
where: short stacking energy: -336.135
Base-Backbone interact. energy: -1.561
local terms energy: -342.102898
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -70.055
flat angles C4'-P-C4' energy: -68.768
flat angles P-C4'-P energy: -49.701
tors. eta vs tors. theta energy: -82.986
Dist. restrs. and SS energy: -208.800 (S_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: 471
Temperature: 1.050000
Total energy: -1397.871623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.871623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.471623 (E_RNA)
where:
Base-Base interactions energy: -849.076
where: short stacking energy: -327.446
Base-Backbone interact. energy: -2.109
local terms energy: -352.286577
where:
bonds (distance) C4'-P energy: -73.822
bonds (distance) P-C4' energy: -63.630
flat angles C4'-P-C4' energy: -72.999
flat angles P-C4'-P energy: -52.872
tors. eta vs tors. theta energy: -88.963
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1305.249219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.249219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.049219 (E_RNA)
where:
Base-Base interactions energy: -775.188
where: short stacking energy: -304.603
Base-Backbone interact. energy: -1.061
local terms energy: -314.800048
where:
bonds (distance) C4'-P energy: -59.016
bonds (distance) P-C4' energy: -67.267
flat angles C4'-P-C4' energy: -69.226
flat angles P-C4'-P energy: -47.979
tors. eta vs tors. theta energy: -71.312
Dist. restrs. and SS energy: -214.200 (S_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: 471
Temperature: 1.150000
Total energy: -1276.563675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.563675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.563675 (E_RNA)
where:
Base-Base interactions energy: -741.811
where: short stacking energy: -288.726
Base-Backbone interact. energy: -3.180
local terms energy: -324.572303
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -59.897
flat angles C4'-P-C4' energy: -74.534
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -71.755
Dist. restrs. and SS energy: -207.000 (S_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: 471
Temperature: 1.200000
Total energy: -1163.415571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.415571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.015571 (E_RNA)
where:
Base-Base interactions energy: -680.221
where: short stacking energy: -250.998
Base-Backbone interact. energy: -2.450
local terms energy: -286.344593
where:
bonds (distance) C4'-P energy: -51.948
bonds (distance) P-C4' energy: -73.580
flat angles C4'-P-C4' energy: -65.759
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: -194.400 (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: 471
Temperature: 1.250000
Total energy: -1194.763404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.763404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.963404 (E_RNA)
where:
Base-Base interactions energy: -691.192
where: short stacking energy: -260.791
Base-Backbone interact. energy: 0.800
local terms energy: -295.571645
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -65.105
flat angles C4'-P-C4' energy: -75.254
flat angles P-C4'-P energy: -40.962
tors. eta vs tors. theta energy: -50.754
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1110.451240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.451240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.451240 (E_RNA)
where:
Base-Base interactions energy: -610.163
where: short stacking energy: -253.775
Base-Backbone interact. energy: 0.060
local terms energy: -302.348312
where:
bonds (distance) C4'-P energy: -57.374
bonds (distance) P-C4' energy: -65.991
flat angles C4'-P-C4' energy: -69.289
flat angles P-C4'-P energy: -42.689
tors. eta vs tors. theta energy: -67.005
Dist. restrs. and SS energy: -198.000 (S_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: -1018.389825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.389825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.589825 (E_RNA)
where:
Base-Base interactions energy: -587.477
where: short stacking energy: -235.863
Base-Backbone interact. energy: 0.620
local terms energy: -240.732587
where:
bonds (distance) C4'-P energy: -62.994
bonds (distance) P-C4' energy: -59.046
flat angles C4'-P-C4' energy: -45.884
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -46.670
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1503.323845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.323845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.523845 (E_RNA)
where:
Base-Base interactions energy: -914.687
where: short stacking energy: -350.660
Base-Backbone interact. energy: -0.812
local terms energy: -379.025394
where:
bonds (distance) C4'-P energy: -73.600
bonds (distance) P-C4' energy: -79.422
flat angles C4'-P-C4' energy: -73.231
flat angles P-C4'-P energy: -54.300
tors. eta vs tors. theta energy: -98.473
Dist. restrs. and SS energy: -208.800 (S_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: 472
Temperature: 0.950000
Total energy: -1441.953159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.953159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.353159 (E_RNA)
where:
Base-Base interactions energy: -855.852
where: short stacking energy: -361.057
Base-Backbone interact. energy: -0.491
local terms energy: -384.010635
where:
bonds (distance) C4'-P energy: -72.376
bonds (distance) P-C4' energy: -75.198
flat angles C4'-P-C4' energy: -80.488
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: -92.788
Dist. restrs. and SS energy: -201.600 (S_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: 472
Temperature: 1.000000
Total energy: -1408.282020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.282020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.082020 (E_RNA)
where:
Base-Base interactions energy: -845.859
where: short stacking energy: -318.762
Base-Backbone interact. energy: -2.334
local terms energy: -363.888284
where:
bonds (distance) C4'-P energy: -66.693
bonds (distance) P-C4' energy: -79.339
flat angles C4'-P-C4' energy: -69.687
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -95.462
Dist. restrs. and SS energy: -196.200 (S_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: 472
Temperature: 1.050000
Total energy: -1365.736462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.736462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.736462 (E_RNA)
where:
Base-Base interactions energy: -833.115
where: short stacking energy: -328.464
Base-Backbone interact. energy: -1.855
local terms energy: -314.765567
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -53.655
tors. eta vs tors. theta energy: -69.590
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1337.209564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.209564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.009564 (E_RNA)
where:
Base-Base interactions energy: -800.297
where: short stacking energy: -317.770
Base-Backbone interact. energy: 1.137
local terms energy: -323.849536
where:
bonds (distance) C4'-P energy: -63.704
bonds (distance) P-C4' energy: -71.159
flat angles C4'-P-C4' energy: -70.733
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -73.766
Dist. restrs. and SS energy: -214.200 (S_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: 472
Temperature: 1.150000
Total energy: -1275.614008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.614008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.614008 (E_RNA)
where:
Base-Base interactions energy: -747.550
where: short stacking energy: -287.220
Base-Backbone interact. energy: -2.395
local terms energy: -318.668780
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -67.773
flat angles C4'-P-C4' energy: -65.854
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -71.860
Dist. restrs. and SS energy: -207.000 (S_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: 472
Temperature: 1.200000
Total energy: -1207.671163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.671163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.871163 (E_RNA)
where:
Base-Base interactions energy: -692.957
where: short stacking energy: -276.575
Base-Backbone interact. energy: -0.577
local terms energy: -296.336898
where:
bonds (distance) C4'-P energy: -63.606
bonds (distance) P-C4' energy: -61.322
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -36.491
tors. eta vs tors. theta energy: -62.141
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1121.788454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.788454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.788454 (E_RNA)
where:
Base-Base interactions energy: -662.695
where: short stacking energy: -273.435
Base-Backbone interact. energy: 2.653
local terms energy: -263.746220
where:
bonds (distance) C4'-P energy: -47.410
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -63.222
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1017.503504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.503504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.503504 (E_RNA)
where:
Base-Base interactions energy: -557.361
where: short stacking energy: -239.456
Base-Backbone interact. energy: 4.757
local terms energy: -266.899766
where:
bonds (distance) C4'-P energy: -51.500
bonds (distance) P-C4' energy: -65.351
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: -58.835
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1087.083568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.083568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.683568 (E_RNA)
where:
Base-Base interactions energy: -617.920
where: short stacking energy: -231.154
Base-Backbone interact. energy: 1.747
local terms energy: -267.510970
where:
bonds (distance) C4'-P energy: -58.105
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -63.244
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -50.023
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1511.749467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.749467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.749467 (E_RNA)
where:
Base-Base interactions energy: -913.217
where: short stacking energy: -336.291
Base-Backbone interact. energy: -6.450
local terms energy: -385.082590
where:
bonds (distance) C4'-P energy: -76.830
bonds (distance) P-C4' energy: -77.742
flat angles C4'-P-C4' energy: -73.019
flat angles P-C4'-P energy: -61.350
tors. eta vs tors. theta energy: -96.142
Dist. restrs. and SS energy: -207.000 (S_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: -1451.359547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.359547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.359547 (E_RNA)
where:
Base-Base interactions energy: -858.137
where: short stacking energy: -342.669
Base-Backbone interact. energy: -1.789
local terms energy: -384.433587
where:
bonds (distance) C4'-P energy: -84.333
bonds (distance) P-C4' energy: -74.896
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -97.587
Dist. restrs. and SS energy: -207.000 (S_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: 473
Temperature: 1.000000
Total energy: -1403.827575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.827575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.627575 (E_RNA)
where:
Base-Base interactions energy: -855.664
where: short stacking energy: -332.911
Base-Backbone interact. energy: -1.684
local terms energy: -350.279030
where:
bonds (distance) C4'-P energy: -63.734
bonds (distance) P-C4' energy: -73.051
flat angles C4'-P-C4' energy: -84.928
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -85.506
Dist. restrs. and SS energy: -196.200 (S_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: 473
Temperature: 1.050000
Total energy: -1374.242340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.242340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.242340 (E_RNA)
where:
Base-Base interactions energy: -821.738
where: short stacking energy: -303.538
Base-Backbone interact. energy: 0.338
local terms energy: -336.842093
where:
bonds (distance) C4'-P energy: -65.544
bonds (distance) P-C4' energy: -66.965
flat angles C4'-P-C4' energy: -82.494
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -81.963
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1331.048476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.048476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.848476 (E_RNA)
where:
Base-Base interactions energy: -797.515
where: short stacking energy: -301.942
Base-Backbone interact. energy: 3.074
local terms energy: -322.407682
where:
bonds (distance) C4'-P energy: -66.176
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -51.290
tors. eta vs tors. theta energy: -64.654
Dist. restrs. and SS energy: -214.200 (S_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: 473
Temperature: 1.150000
Total energy: -1281.856030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.856030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.056030 (E_RNA)
where:
Base-Base interactions energy: -754.579
where: short stacking energy: -310.810
Base-Backbone interact. energy: -0.423
local terms energy: -318.053494
where:
bonds (distance) C4'-P energy: -66.661
bonds (distance) P-C4' energy: -69.982
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -73.832
Dist. restrs. and SS energy: -208.800 (S_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: 473
Temperature: 1.200000
Total energy: -1210.489538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.489538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.289538 (E_RNA)
where:
Base-Base interactions energy: -684.835
where: short stacking energy: -266.455
Base-Backbone interact. energy: -2.046
local terms energy: -309.407956
where:
bonds (distance) C4'-P energy: -67.950
bonds (distance) P-C4' energy: -63.065
flat angles C4'-P-C4' energy: -58.268
flat angles P-C4'-P energy: -55.866
tors. eta vs tors. theta energy: -64.260
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1129.491529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.491529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.691529 (E_RNA)
where:
Base-Base interactions energy: -640.070
where: short stacking energy: -255.075
Base-Backbone interact. energy: -1.112
local terms energy: -288.509378
where:
bonds (distance) C4'-P energy: -60.694
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -70.632
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1038.115877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.115877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.915877 (E_RNA)
where:
Base-Base interactions energy: -576.633
where: short stacking energy: -242.557
Base-Backbone interact. energy: 3.033
local terms energy: -277.316309
where:
bonds (distance) C4'-P energy: -52.170
bonds (distance) P-C4' energy: -60.563
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -57.193
Dist. restrs. and SS energy: -187.200 (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: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1103.636791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.636791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.236791 (E_RNA)
where:
Base-Base interactions energy: -657.002
where: short stacking energy: -249.745
Base-Backbone interact. energy: -2.746
local terms energy: -240.488876
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -48.614
flat angles C4'-P-C4' energy: -68.957
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -50.878
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1488.765455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.965455 (E_RNA)
where:
Base-Base interactions energy: -917.437
where: short stacking energy: -358.840
Base-Backbone interact. energy: -3.730
local terms energy: -358.797882
where:
bonds (distance) C4'-P energy: -70.736
bonds (distance) P-C4' energy: -68.763
flat angles C4'-P-C4' energy: -72.848
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -100.067
Dist. restrs. and SS energy: -208.800 (S_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: 474
Temperature: 0.950000
Total energy: -1444.762343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.762343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.762343 (E_RNA)
where:
Base-Base interactions energy: -876.577
where: short stacking energy: -339.118
Base-Backbone interact. energy: -1.776
local terms energy: -359.408968
where:
bonds (distance) C4'-P energy: -72.136
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -77.012
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: -94.874
Dist. restrs. and SS energy: -207.000 (S_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: 474
Temperature: 1.000000
Total energy: -1399.970136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.970136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.770136 (E_RNA)
where:
Base-Base interactions energy: -855.476
where: short stacking energy: -332.283
Base-Backbone interact. energy: -1.753
local terms energy: -346.541820
where:
bonds (distance) C4'-P energy: -68.967
bonds (distance) P-C4' energy: -66.585
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -90.851
Dist. restrs. and SS energy: -196.200 (S_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: 474
Temperature: 1.050000
Total energy: -1395.152140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.152140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.152140 (E_RNA)
where:
Base-Base interactions energy: -838.839
where: short stacking energy: -327.743
Base-Backbone interact. energy: -2.755
local terms energy: -337.557767
where:
bonds (distance) C4'-P energy: -61.841
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -70.146
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -85.205
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1354.165123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.165123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.165123 (E_RNA)
where:
Base-Base interactions energy: -812.897
where: short stacking energy: -316.139
Base-Backbone interact. energy: 0.642
local terms energy: -325.909538
where:
bonds (distance) C4'-P energy: -66.544
bonds (distance) P-C4' energy: -70.717
flat angles C4'-P-C4' energy: -73.748
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -71.649
Dist. restrs. and SS energy: -216.000 (S_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: 474
Temperature: 1.150000
Total energy: -1290.598767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.598767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.398767 (E_RNA)
where:
Base-Base interactions energy: -770.105
where: short stacking energy: -328.582
Base-Backbone interact. energy: -2.073
local terms energy: -313.220114
where:
bonds (distance) C4'-P energy: -62.210
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -76.435
flat angles P-C4'-P energy: -38.235
tors. eta vs tors. theta energy: -82.217
Dist. restrs. and SS energy: -205.200 (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: 474
Temperature: 1.200000
Total energy: -1208.674220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.674220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.474220 (E_RNA)
where:
Base-Base interactions energy: -691.080
where: short stacking energy: -285.907
Base-Backbone interact. energy: 0.428
local terms energy: -312.821898
where:
bonds (distance) C4'-P energy: -53.053
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -72.999
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -70.474
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1173.509410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.509410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.709410 (E_RNA)
where:
Base-Base interactions energy: -684.207
where: short stacking energy: -270.147
Base-Backbone interact. energy: 4.530
local terms energy: -294.032581
where:
bonds (distance) C4'-P energy: -50.587
bonds (distance) P-C4' energy: -66.468
flat angles C4'-P-C4' energy: -74.540
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -65.946
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1098.607966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.607966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.007966 (E_RNA)
where:
Base-Base interactions energy: -620.819
where: short stacking energy: -236.697
Base-Backbone interact. energy: 0.585
local terms energy: -267.774555
where:
bonds (distance) C4'-P energy: -52.021
bonds (distance) P-C4' energy: -61.325
flat angles C4'-P-C4' energy: -65.410
flat angles P-C4'-P energy: -35.217
tors. eta vs tors. theta energy: -53.801
Dist. restrs. and SS energy: -210.600 (S_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: -983.034995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.034995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.034995 (E_RNA)
where:
Base-Base interactions energy: -554.055
where: short stacking energy: -218.342
Base-Backbone interact. energy: -1.597
local terms energy: -238.383502
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1514.820266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.820266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.620266 (E_RNA)
where:
Base-Base interactions energy: -931.180
where: short stacking energy: -351.967
Base-Backbone interact. energy: -1.754
local terms energy: -376.686328
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -70.734
flat angles C4'-P-C4' energy: -82.150
flat angles P-C4'-P energy: -64.912
tors. eta vs tors. theta energy: -98.992
Dist. restrs. and SS energy: -205.200 (S_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: 475
Temperature: 0.950000
Total energy: -1439.095692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.095692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.295692 (E_RNA)
where:
Base-Base interactions energy: -868.881
where: short stacking energy: -333.028
Base-Backbone interact. energy: 0.997
local terms energy: -362.411841
where:
bonds (distance) C4'-P energy: -72.930
bonds (distance) P-C4' energy: -71.179
flat angles C4'-P-C4' energy: -77.971
flat angles P-C4'-P energy: -51.385
tors. eta vs tors. theta energy: -88.947
Dist. restrs. and SS energy: -208.800 (S_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: 475
Temperature: 1.000000
Total energy: -1418.721275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.721275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.121275 (E_RNA)
where:
Base-Base interactions energy: -865.173
where: short stacking energy: -321.268
Base-Backbone interact. energy: -2.280
local terms energy: -349.667702
where:
bonds (distance) C4'-P energy: -64.722
bonds (distance) P-C4' energy: -77.565
flat angles C4'-P-C4' energy: -71.945
flat angles P-C4'-P energy: -44.506
tors. eta vs tors. theta energy: -90.931
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1373.333415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.333415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.333415 (E_RNA)
where:
Base-Base interactions energy: -825.795
where: short stacking energy: -330.251
Base-Backbone interact. energy: 1.134
local terms energy: -332.672886
where:
bonds (distance) C4'-P energy: -73.551
bonds (distance) P-C4' energy: -61.622
flat angles C4'-P-C4' energy: -72.733
flat angles P-C4'-P energy: -47.922
tors. eta vs tors. theta energy: -76.844
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1337.247042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.247042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.247042 (E_RNA)
where:
Base-Base interactions energy: -787.643
where: short stacking energy: -308.794
Base-Backbone interact. energy: 0.893
local terms energy: -334.496472
where:
bonds (distance) C4'-P energy: -64.284
bonds (distance) P-C4' energy: -70.319
flat angles C4'-P-C4' energy: -70.102
flat angles P-C4'-P energy: -50.824
tors. eta vs tors. theta energy: -78.967
Dist. restrs. and SS energy: -216.000 (S_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: 475
Temperature: 1.150000
Total energy: -1293.848442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.848442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.448442 (E_RNA)
where:
Base-Base interactions energy: -788.652
where: short stacking energy: -322.272
Base-Backbone interact. energy: 0.576
local terms energy: -302.372877
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -74.078
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -75.343
Dist. restrs. and SS energy: -203.400 (S_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: 475
Temperature: 1.200000
Total energy: -1200.851495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.851495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.651495 (E_RNA)
where:
Base-Base interactions energy: -695.400
where: short stacking energy: -281.532
Base-Backbone interact. energy: 0.172
local terms energy: -291.423564
where:
bonds (distance) C4'-P energy: -48.386
bonds (distance) P-C4' energy: -58.206
flat angles C4'-P-C4' energy: -68.831
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -67.443
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1160.602765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.602765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.602765 (E_RNA)
where:
Base-Base interactions energy: -680.517
where: short stacking energy: -255.021
Base-Backbone interact. energy: 0.209
local terms energy: -282.294498
where:
bonds (distance) C4'-P energy: -56.139
bonds (distance) P-C4' energy: -48.782
flat angles C4'-P-C4' energy: -70.538
flat angles P-C4'-P energy: -46.410
tors. eta vs tors. theta energy: -60.426
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1094.095447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.095447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.895447 (E_RNA)
where:
Base-Base interactions energy: -618.567
where: short stacking energy: -247.913
Base-Backbone interact. energy: -4.538
local terms energy: -256.790387
where:
bonds (distance) C4'-P energy: -55.636
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -53.671
Dist. restrs. and SS energy: -214.200 (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: 475
Temperature: 1.350000
Total energy: -993.891727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.891727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.891727 (E_RNA)
where:
Base-Base interactions energy: -535.822
where: short stacking energy: -227.193
Base-Backbone interact. energy: 5.096
local terms energy: -265.166286
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -52.688
flat angles C4'-P-C4' energy: -60.605
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -57.046
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1518.324136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.324136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.524136 (E_RNA)
where:
Base-Base interactions energy: -918.742
where: short stacking energy: -366.482
Base-Backbone interact. energy: -3.943
local terms energy: -386.839114
where:
bonds (distance) C4'-P energy: -79.168
bonds (distance) P-C4' energy: -71.853
flat angles C4'-P-C4' energy: -80.017
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -101.001
Dist. restrs. and SS energy: -208.800 (S_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: 476
Temperature: 0.950000
Total energy: -1443.333590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.333590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.333590 (E_RNA)
where:
Base-Base interactions energy: -872.047
where: short stacking energy: -350.395
Base-Backbone interact. energy: -2.943
local terms energy: -361.344465
where:
bonds (distance) C4'-P energy: -69.483
bonds (distance) P-C4' energy: -67.127
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -90.046
Dist. restrs. and SS energy: -207.000 (S_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: 476
Temperature: 1.000000
Total energy: -1409.909963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.909963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.109963 (E_RNA)
where:
Base-Base interactions energy: -857.679
where: short stacking energy: -332.884
Base-Backbone interact. energy: -4.112
local terms energy: -348.318926
where:
bonds (distance) C4'-P energy: -62.893
bonds (distance) P-C4' energy: -62.484
flat angles C4'-P-C4' energy: -82.360
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -84.009
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1369.256389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.256389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.856389 (E_RNA)
where:
Base-Base interactions energy: -817.171
where: short stacking energy: -309.536
Base-Backbone interact. energy: -1.741
local terms energy: -337.945016
where:
bonds (distance) C4'-P energy: -64.658
bonds (distance) P-C4' energy: -72.069
flat angles C4'-P-C4' energy: -75.800
flat angles P-C4'-P energy: -53.471
tors. eta vs tors. theta energy: -71.947
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1330.916809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.916809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.716809 (E_RNA)
where:
Base-Base interactions energy: -800.998
where: short stacking energy: -309.813
Base-Backbone interact. energy: -3.098
local terms energy: -312.620371
where:
bonds (distance) C4'-P energy: -57.519
bonds (distance) P-C4' energy: -55.897
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -48.214
tors. eta vs tors. theta energy: -78.546
Dist. restrs. and SS energy: -214.200 (S_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: -1293.478593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.478593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.278593 (E_RNA)
where:
Base-Base interactions energy: -780.881
where: short stacking energy: -300.610
Base-Backbone interact. energy: -0.614
local terms energy: -306.783167
where:
bonds (distance) C4'-P energy: -64.723
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -74.952
Dist. restrs. and SS energy: -205.200 (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: 476
Temperature: 1.200000
Total energy: -1224.199199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.199199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.799199 (E_RNA)
where:
Base-Base interactions energy: -706.513
where: short stacking energy: -280.304
Base-Backbone interact. energy: 1.935
local terms energy: -307.220793
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -67.324
flat angles C4'-P-C4' energy: -73.010
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -70.945
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1141.247346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.247346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.647346 (E_RNA)
where:
Base-Base interactions energy: -653.723
where: short stacking energy: -261.399
Base-Backbone interact. energy: 3.470
local terms energy: -298.394360
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -63.462
flat angles C4'-P-C4' energy: -69.733
flat angles P-C4'-P energy: -54.030
tors. eta vs tors. theta energy: -64.507
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1082.298614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.298614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.098614 (E_RNA)
where:
Base-Base interactions energy: -608.190
where: short stacking energy: -231.652
Base-Backbone interact. energy: 0.336
local terms energy: -269.245195
where:
bonds (distance) C4'-P energy: -56.609
bonds (distance) P-C4' energy: -60.925
flat angles C4'-P-C4' energy: -68.267
flat angles P-C4'-P energy: -36.517
tors. eta vs tors. theta energy: -46.928
Dist. restrs. and SS energy: -205.200 (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: 476
Temperature: 1.350000
Total energy: -1020.106532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.106532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.906532 (E_RNA)
where:
Base-Base interactions energy: -564.402
where: short stacking energy: -239.542
Base-Backbone interact. energy: -3.240
local terms energy: -265.264524
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -63.355
flat angles P-C4'-P energy: -41.849
tors. eta vs tors. theta energy: -51.784
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1514.235745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.235745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.035745 (E_RNA)
where:
Base-Base interactions energy: -926.538
where: short stacking energy: -358.706
Base-Backbone interact. energy: -1.299
local terms energy: -381.198764
where:
bonds (distance) C4'-P energy: -66.476
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -86.061
flat angles P-C4'-P energy: -59.995
tors. eta vs tors. theta energy: -102.261
Dist. restrs. and SS energy: -205.200 (S_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: 477
Temperature: 0.950000
Total energy: -1447.788008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.788008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.788008 (E_RNA)
where:
Base-Base interactions energy: -872.090
where: short stacking energy: -326.903
Base-Backbone interact. energy: 0.469
local terms energy: -369.167261
where:
bonds (distance) C4'-P energy: -73.063
bonds (distance) P-C4' energy: -69.051
flat angles C4'-P-C4' energy: -81.383
flat angles P-C4'-P energy: -56.098
tors. eta vs tors. theta energy: -89.572
Dist. restrs. and SS energy: -207.000 (S_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: 477
Temperature: 1.000000
Total energy: -1438.283866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.283866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.683866 (E_RNA)
where:
Base-Base interactions energy: -873.017
where: short stacking energy: -353.989
Base-Backbone interact. energy: -1.163
local terms energy: -362.504798
where:
bonds (distance) C4'-P energy: -76.523
bonds (distance) P-C4' energy: -69.333
flat angles C4'-P-C4' energy: -71.197
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: -91.053
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1350.700640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.700640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.100640 (E_RNA)
where:
Base-Base interactions energy: -800.406
where: short stacking energy: -314.878
Base-Backbone interact. energy: -1.970
local terms energy: -337.724777
where:
bonds (distance) C4'-P energy: -70.624
bonds (distance) P-C4' energy: -61.083
flat angles C4'-P-C4' energy: -69.738
flat angles P-C4'-P energy: -52.440
tors. eta vs tors. theta energy: -83.840
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1330.910739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.910739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.910739 (E_RNA)
where:
Base-Base interactions energy: -800.277
where: short stacking energy: -306.188
Base-Backbone interact. energy: -0.486
local terms energy: -323.147736
where:
bonds (distance) C4'-P energy: -76.847
bonds (distance) P-C4' energy: -60.740
flat angles C4'-P-C4' energy: -68.207
flat angles P-C4'-P energy: -44.953
tors. eta vs tors. theta energy: -72.400
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1297.901302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.901302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.901302 (E_RNA)
where:
Base-Base interactions energy: -761.087
where: short stacking energy: -310.321
Base-Backbone interact. energy: 0.725
local terms energy: -330.539821
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -92.860
Dist. restrs. and SS energy: -207.000 (S_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: 477
Temperature: 1.200000
Total energy: -1192.742336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.742336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.542336 (E_RNA)
where:
Base-Base interactions energy: -693.249
where: short stacking energy: -259.569
Base-Backbone interact. energy: -2.940
local terms energy: -282.353497
where:
bonds (distance) C4'-P energy: -54.488
bonds (distance) P-C4' energy: -59.118
flat angles C4'-P-C4' energy: -74.476
flat angles P-C4'-P energy: -43.023
tors. eta vs tors. theta energy: -51.248
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1108.180692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.180692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.380692 (E_RNA)
where:
Base-Base interactions energy: -624.205
where: short stacking energy: -250.090
Base-Backbone interact. energy: 0.397
local terms energy: -293.572991
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -67.507
flat angles C4'-P-C4' energy: -68.155
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -65.566
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1068.457845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.457845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.457845 (E_RNA)
where:
Base-Base interactions energy: -610.955
where: short stacking energy: -240.006
Base-Backbone interact. energy: -0.654
local terms energy: -258.849617
where:
bonds (distance) C4'-P energy: -50.197
bonds (distance) P-C4' energy: -64.228
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -58.845
Dist. restrs. and SS energy: -198.000 (S_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: 477
Temperature: 1.350000
Total energy: -997.280871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.280871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.080871 (E_RNA)
where:
Base-Base interactions energy: -571.621
where: short stacking energy: -246.097
Base-Backbone interact. energy: -3.602
local terms energy: -234.857976
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -43.931
flat angles C4'-P-C4' energy: -57.044
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: -52.895
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1472.536964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.536964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.536964 (E_RNA)
where:
Base-Base interactions energy: -900.914
where: short stacking energy: -369.445
Base-Backbone interact. energy: -0.342
local terms energy: -364.281264
where:
bonds (distance) C4'-P energy: -57.774
bonds (distance) P-C4' energy: -71.977
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -89.032
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1479.956096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.956096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.956096 (E_RNA)
where:
Base-Base interactions energy: -906.930
where: short stacking energy: -359.116
Base-Backbone interact. energy: -2.234
local terms energy: -363.792086
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -60.380
flat angles C4'-P-C4' energy: -85.542
flat angles P-C4'-P energy: -55.200
tors. eta vs tors. theta energy: -97.361
Dist. restrs. and SS energy: -207.000 (S_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: 478
Temperature: 1.000000
Total energy: -1416.304438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.304438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.704438 (E_RNA)
where:
Base-Base interactions energy: -855.641
where: short stacking energy: -335.643
Base-Backbone interact. energy: -3.094
local terms energy: -355.969752
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -69.073
flat angles C4'-P-C4' energy: -88.089
flat angles P-C4'-P energy: -50.708
tors. eta vs tors. theta energy: -87.553
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1373.430546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.430546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.230546 (E_RNA)
where:
Base-Base interactions energy: -828.784
where: short stacking energy: -321.562
Base-Backbone interact. energy: -1.413
local terms energy: -329.032949
where:
bonds (distance) C4'-P energy: -58.113
bonds (distance) P-C4' energy: -55.270
flat angles C4'-P-C4' energy: -74.022
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -88.942
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1334.776097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.776097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.376097 (E_RNA)
where:
Base-Base interactions energy: -801.015
where: short stacking energy: -310.567
Base-Backbone interact. energy: 2.371
local terms energy: -323.732294
where:
bonds (distance) C4'-P energy: -72.991
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -70.274
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: -78.749
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1303.748421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.748421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.348421 (E_RNA)
where:
Base-Base interactions energy: -776.293
where: short stacking energy: -317.071
Base-Backbone interact. energy: -1.982
local terms energy: -322.072689
where:
bonds (distance) C4'-P energy: -60.599
bonds (distance) P-C4' energy: -60.360
flat angles C4'-P-C4' energy: -79.300
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -82.330
Dist. restrs. and SS energy: -203.400 (S_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: 478
Temperature: 1.200000
Total energy: -1209.685959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.685959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.285959 (E_RNA)
where:
Base-Base interactions energy: -697.881
where: short stacking energy: -292.537
Base-Backbone interact. energy: -1.727
local terms energy: -297.677772
where:
bonds (distance) C4'-P energy: -46.340
bonds (distance) P-C4' energy: -65.227
flat angles C4'-P-C4' energy: -76.984
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: -77.021
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1083.222120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.222120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.822120 (E_RNA)
where:
Base-Base interactions energy: -605.194
where: short stacking energy: -231.812
Base-Backbone interact. energy: 0.759
local terms energy: -284.387465
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -69.155
flat angles C4'-P-C4' energy: -60.083
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -55.855
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1008.750201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.750201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.350201 (E_RNA)
where:
Base-Base interactions energy: -574.765
where: short stacking energy: -243.509
Base-Backbone interact. energy: 3.415
local terms energy: -252.000316
where:
bonds (distance) C4'-P energy: -54.937
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -54.607
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -52.958
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1052.346775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.346775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.146775 (E_RNA)
where:
Base-Base interactions energy: -596.070
where: short stacking energy: -229.626
Base-Backbone interact. energy: -1.032
local terms energy: -259.045281
where:
bonds (distance) C4'-P energy: -58.207
bonds (distance) P-C4' energy: -48.548
flat angles C4'-P-C4' energy: -60.131
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -49.874
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1481.129073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.129073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.129073 (E_RNA)
where:
Base-Base interactions energy: -892.692
where: short stacking energy: -341.012
Base-Backbone interact. energy: -1.833
local terms energy: -379.603690
where:
bonds (distance) C4'-P energy: -64.429
bonds (distance) P-C4' energy: -83.361
flat angles C4'-P-C4' energy: -82.058
flat angles P-C4'-P energy: -65.313
tors. eta vs tors. theta energy: -84.442
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1471.782958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.782958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.782958 (E_RNA)
where:
Base-Base interactions energy: -888.982
where: short stacking energy: -343.130
Base-Backbone interact. energy: 1.548
local terms energy: -377.348412
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -78.195
flat angles C4'-P-C4' energy: -74.398
flat angles P-C4'-P energy: -60.582
tors. eta vs tors. theta energy: -96.974
Dist. restrs. and SS energy: -207.000 (S_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: 479
Temperature: 1.000000
Total energy: -1425.641704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.641704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.041704 (E_RNA)
where:
Base-Base interactions energy: -878.973
where: short stacking energy: -348.906
Base-Backbone interact. energy: 1.344
local terms energy: -346.412278
where:
bonds (distance) C4'-P energy: -62.268
bonds (distance) P-C4' energy: -61.881
flat angles C4'-P-C4' energy: -77.165
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -89.331
Dist. restrs. and SS energy: -201.600 (S_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: 479
Temperature: 1.050000
Total energy: -1365.729928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.729928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.129928 (E_RNA)
where:
Base-Base interactions energy: -798.976
where: short stacking energy: -317.432
Base-Backbone interact. energy: -1.790
local terms energy: -354.364348
where:
bonds (distance) C4'-P energy: -77.265
bonds (distance) P-C4' energy: -70.326
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: -93.683
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1345.765070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.765070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.565070 (E_RNA)
where:
Base-Base interactions energy: -825.891
where: short stacking energy: -314.507
Base-Backbone interact. energy: 4.776
local terms energy: -310.450981
where:
bonds (distance) C4'-P energy: -57.451
bonds (distance) P-C4' energy: -63.630
flat angles C4'-P-C4' energy: -68.609
flat angles P-C4'-P energy: -43.856
tors. eta vs tors. theta energy: -76.904
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1309.348867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.348867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.548867 (E_RNA)
where:
Base-Base interactions energy: -779.766
where: short stacking energy: -311.582
Base-Backbone interact. energy: -1.765
local terms energy: -319.017488
where:
bonds (distance) C4'-P energy: -59.064
bonds (distance) P-C4' energy: -72.932
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -33.306
tors. eta vs tors. theta energy: -82.097
Dist. restrs. and SS energy: -208.800 (S_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: 479
Temperature: 1.200000
Total energy: -1220.046059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.046059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.246059 (E_RNA)
where:
Base-Base interactions energy: -693.765
where: short stacking energy: -268.285
Base-Backbone interact. energy: -0.493
local terms energy: -307.988015
where:
bonds (distance) C4'-P energy: -66.784
bonds (distance) P-C4' energy: -60.973
flat angles C4'-P-C4' energy: -71.442
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -73.328
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1136.656116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.656116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.656116 (E_RNA)
where:
Base-Base interactions energy: -657.351
where: short stacking energy: -256.656
Base-Backbone interact. energy: 0.382
local terms energy: -281.687402
where:
bonds (distance) C4'-P energy: -48.519
bonds (distance) P-C4' energy: -71.730
flat angles C4'-P-C4' energy: -64.133
flat angles P-C4'-P energy: -35.514
tors. eta vs tors. theta energy: -61.791
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1010.442205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.442205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.442205 (E_RNA)
where:
Base-Base interactions energy: -541.591
where: short stacking energy: -231.107
Base-Backbone interact. energy: 6.997
local terms energy: -286.847919
where:
bonds (distance) C4'-P energy: -55.811
bonds (distance) P-C4' energy: -70.562
flat angles C4'-P-C4' energy: -61.244
flat angles P-C4'-P energy: -44.588
tors. eta vs tors. theta energy: -54.643
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1024.925440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.925440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.525440 (E_RNA)
where:
Base-Base interactions energy: -586.079
where: short stacking energy: -239.174
Base-Backbone interact. energy: -1.552
local terms energy: -251.893862
where:
bonds (distance) C4'-P energy: -56.518
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -50.060
flat angles P-C4'-P energy: -37.058
tors. eta vs tors. theta energy: -41.766
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1465.076546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.076546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.276546 (E_RNA)
where:
Base-Base interactions energy: -892.594
where: short stacking energy: -341.912
Base-Backbone interact. energy: 2.052
local terms energy: -365.734375
where:
bonds (distance) C4'-P energy: -68.534
bonds (distance) P-C4' energy: -73.805
flat angles C4'-P-C4' energy: -76.675
flat angles P-C4'-P energy: -59.423
tors. eta vs tors. theta energy: -87.296
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1460.727573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.727573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.927573 (E_RNA)
where:
Base-Base interactions energy: -894.633
where: short stacking energy: -340.726
Base-Backbone interact. energy: -2.451
local terms energy: -354.844097
where:
bonds (distance) C4'-P energy: -65.098
bonds (distance) P-C4' energy: -62.201
flat angles C4'-P-C4' energy: -82.663
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -94.919
Dist. restrs. and SS energy: -208.800 (S_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: 480
Temperature: 1.000000
Total energy: -1421.432705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.432705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.832705 (E_RNA)
where:
Base-Base interactions energy: -846.867
where: short stacking energy: -328.261
Base-Backbone interact. energy: -4.149
local terms energy: -368.816438
where:
bonds (distance) C4'-P energy: -75.576
bonds (distance) P-C4' energy: -72.920
flat angles C4'-P-C4' energy: -79.162
flat angles P-C4'-P energy: -51.597
tors. eta vs tors. theta energy: -89.562
Dist. restrs. and SS energy: -201.600 (S_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: 480
Temperature: 1.050000
Total energy: -1347.630510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.630510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.630510 (E_RNA)
where:
Base-Base interactions energy: -783.397
where: short stacking energy: -308.906
Base-Backbone interact. energy: -0.923
local terms energy: -347.310357
where:
bonds (distance) C4'-P energy: -72.221
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -75.658
flat angles P-C4'-P energy: -47.800
tors. eta vs tors. theta energy: -86.201
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1309.406501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.406501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.806501 (E_RNA)
where:
Base-Base interactions energy: -766.211
where: short stacking energy: -318.081
Base-Backbone interact. energy: -1.783
local terms energy: -339.812909
where:
bonds (distance) C4'-P energy: -68.185
bonds (distance) P-C4' energy: -69.702
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -84.820
Dist. restrs. and SS energy: -201.600 (S_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: 480
Temperature: 1.150000
Total energy: -1303.964440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.964440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.764440 (E_RNA)
where:
Base-Base interactions energy: -771.350
where: short stacking energy: -280.544
Base-Backbone interact. energy: -2.075
local terms energy: -316.339395
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -76.121
flat angles C4'-P-C4' energy: -76.703
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: -59.316
Dist. restrs. and SS energy: -214.200 (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: 480
Temperature: 1.200000
Total energy: -1232.613240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.613240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.213240 (E_RNA)
where:
Base-Base interactions energy: -714.313
where: short stacking energy: -299.184
Base-Backbone interact. energy: 1.779
local terms energy: -307.678927
where:
bonds (distance) C4'-P energy: -55.472
bonds (distance) P-C4' energy: -62.933
flat angles C4'-P-C4' energy: -71.608
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -73.134
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1105.379374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.379374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.379374 (E_RNA)
where:
Base-Base interactions energy: -609.472
where: short stacking energy: -237.859
Base-Backbone interact. energy: 0.137
local terms energy: -298.044321
where:
bonds (distance) C4'-P energy: -64.776
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -76.193
flat angles P-C4'-P energy: -43.830
tors. eta vs tors. theta energy: -50.317
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1053.208543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.208543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.208543 (E_RNA)
where:
Base-Base interactions energy: -619.803
where: short stacking energy: -238.745
Base-Backbone interact. energy: -0.262
local terms energy: -262.143426
where:
bonds (distance) C4'-P energy: -61.802
bonds (distance) P-C4' energy: -64.272
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -41.349
Dist. restrs. and SS energy: -171.000 (S_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: 480
Temperature: 1.350000
Total energy: -1010.145730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.145730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.345730 (E_RNA)
where:
Base-Base interactions energy: -551.697
where: short stacking energy: -208.536
Base-Backbone interact. energy: -0.521
local terms energy: -276.127619
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -60.386
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -43.347
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1477.216886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.216886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.816886 (E_RNA)
where:
Base-Base interactions energy: -906.586
where: short stacking energy: -365.666
Base-Backbone interact. energy: -2.950
local terms energy: -364.280556
where:
bonds (distance) C4'-P energy: -69.775
bonds (distance) P-C4' energy: -68.700
flat angles C4'-P-C4' energy: -76.481
flat angles P-C4'-P energy: -57.338
tors. eta vs tors. theta energy: -91.986
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1497.735040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.735040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.735040 (E_RNA)
where:
Base-Base interactions energy: -901.081
where: short stacking energy: -347.832
Base-Backbone interact. energy: -3.557
local terms energy: -386.096687
where:
bonds (distance) C4'-P energy: -70.190
bonds (distance) P-C4' energy: -75.566
flat angles C4'-P-C4' energy: -83.419
flat angles P-C4'-P energy: -58.443
tors. eta vs tors. theta energy: -98.480
Dist. restrs. and SS energy: -207.000 (S_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: 481
Temperature: 1.000000
Total energy: -1428.405201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.405201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.605201 (E_RNA)
where:
Base-Base interactions energy: -857.761
where: short stacking energy: -346.229
Base-Backbone interact. energy: 0.442
local terms energy: -371.286518
where:
bonds (distance) C4'-P energy: -76.163
bonds (distance) P-C4' energy: -74.528
flat angles C4'-P-C4' energy: -77.343
flat angles P-C4'-P energy: -56.881
tors. eta vs tors. theta energy: -86.372
Dist. restrs. and SS energy: -199.800 (S_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: 481
Temperature: 1.050000
Total energy: -1377.906369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.906369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.706369 (E_RNA)
where:
Base-Base interactions energy: -804.469
where: short stacking energy: -338.074
Base-Backbone interact. energy: 3.353
local terms energy: -362.590121
where:
bonds (distance) C4'-P energy: -68.956
bonds (distance) P-C4' energy: -72.078
flat angles C4'-P-C4' energy: -74.020
flat angles P-C4'-P energy: -53.531
tors. eta vs tors. theta energy: -94.005
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1313.196908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.196908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.996908 (E_RNA)
where:
Base-Base interactions energy: -766.228
where: short stacking energy: -317.609
Base-Backbone interact. energy: -3.211
local terms energy: -338.557744
where:
bonds (distance) C4'-P energy: -63.088
bonds (distance) P-C4' energy: -69.044
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -49.468
tors. eta vs tors. theta energy: -82.292
Dist. restrs. and SS energy: -205.200 (S_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: 481
Temperature: 1.150000
Total energy: -1289.979350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.979350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.179350 (E_RNA)
where:
Base-Base interactions energy: -766.759
where: short stacking energy: -294.124
Base-Backbone interact. energy: 2.356
local terms energy: -307.776522
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -65.946
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -77.279
Dist. restrs. and SS energy: -217.800 (S_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: 481
Temperature: 1.200000
Total energy: -1197.733942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.733942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.133942 (E_RNA)
where:
Base-Base interactions energy: -699.797
where: short stacking energy: -279.842
Base-Backbone interact. energy: 2.813
local terms energy: -290.149856
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -60.312
flat angles C4'-P-C4' energy: -61.353
flat angles P-C4'-P energy: -36.604
tors. eta vs tors. theta energy: -66.749
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1094.719594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.719594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.519594 (E_RNA)
where:
Base-Base interactions energy: -624.607
where: short stacking energy: -256.072
Base-Backbone interact. energy: -0.243
local terms energy: -291.669439
where:
bonds (distance) C4'-P energy: -64.106
bonds (distance) P-C4' energy: -44.314
flat angles C4'-P-C4' energy: -73.487
flat angles P-C4'-P energy: -48.615
tors. eta vs tors. theta energy: -61.147
Dist. restrs. and SS energy: -178.200 (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: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1067.175336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.175336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.375336 (E_RNA)
where:
Base-Base interactions energy: -609.344
where: short stacking energy: -234.415
Base-Backbone interact. energy: 9.100
local terms energy: -267.132238
where:
bonds (distance) C4'-P energy: -50.645
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -55.538
Dist. restrs. and SS energy: -199.800 (S_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: 481
Temperature: 1.350000
Total energy: -1043.189160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.189160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.989160 (E_RNA)
where:
Base-Base interactions energy: -589.111
where: short stacking energy: -224.106
Base-Backbone interact. energy: 4.555
local terms energy: -262.433897
where:
bonds (distance) C4'-P energy: -60.662
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -56.927
flat angles P-C4'-P energy: -43.418
tors. eta vs tors. theta energy: -52.618
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1503.692097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.692097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.892097 (E_RNA)
where:
Base-Base interactions energy: -909.507
where: short stacking energy: -350.364
Base-Backbone interact. energy: -4.192
local terms energy: -381.193850
where:
bonds (distance) C4'-P energy: -68.586
bonds (distance) P-C4' energy: -77.821
flat angles C4'-P-C4' energy: -82.185
flat angles P-C4'-P energy: -49.955
tors. eta vs tors. theta energy: -102.648
Dist. restrs. and SS energy: -208.800 (S_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: 482
Temperature: 0.950000
Total energy: -1456.237418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.237418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.437418 (E_RNA)
where:
Base-Base interactions energy: -886.780
where: short stacking energy: -357.008
Base-Backbone interact. energy: 0.327
local terms energy: -360.984038
where:
bonds (distance) C4'-P energy: -68.851
bonds (distance) P-C4' energy: -66.040
flat angles C4'-P-C4' energy: -75.773
flat angles P-C4'-P energy: -56.253
tors. eta vs tors. theta energy: -94.067
Dist. restrs. and SS energy: -208.800 (S_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: 482
Temperature: 1.000000
Total energy: -1431.957367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.957367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.157367 (E_RNA)
where:
Base-Base interactions energy: -867.530
where: short stacking energy: -339.678
Base-Backbone interact. energy: -1.198
local terms energy: -363.429499
where:
bonds (distance) C4'-P energy: -64.608
bonds (distance) P-C4' energy: -77.247
flat angles C4'-P-C4' energy: -78.168
flat angles P-C4'-P energy: -59.711
tors. eta vs tors. theta energy: -83.695
Dist. restrs. and SS energy: -199.800 (S_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: 482
Temperature: 1.050000
Total energy: -1375.104310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.104310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.904310 (E_RNA)
where:
Base-Base interactions energy: -807.935
where: short stacking energy: -312.709
Base-Backbone interact. energy: -5.063
local terms energy: -347.906231
where:
bonds (distance) C4'-P energy: -72.452
bonds (distance) P-C4' energy: -68.902
flat angles C4'-P-C4' energy: -73.221
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -81.499
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1340.455155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.455155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.455155 (E_RNA)
where:
Base-Base interactions energy: -811.303
where: short stacking energy: -306.176
Base-Backbone interact. energy: 4.049
local terms energy: -317.201048
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -65.278
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -80.349
Dist. restrs. and SS energy: -216.000 (S_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: 482
Temperature: 1.150000
Total energy: -1295.724057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.724057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.924057 (E_RNA)
where:
Base-Base interactions energy: -772.828
where: short stacking energy: -300.652
Base-Backbone interact. energy: 0.271
local terms energy: -323.367698
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -64.705
flat angles C4'-P-C4' energy: -75.618
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -84.204
Dist. restrs. and SS energy: -199.800 (S_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: 482
Temperature: 1.200000
Total energy: -1263.190639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.190639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.790639 (E_RNA)
where:
Base-Base interactions energy: -721.891
where: short stacking energy: -285.598
Base-Backbone interact. energy: -1.979
local terms energy: -326.921100
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -59.055
flat angles C4'-P-C4' energy: -70.701
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -74.981
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1092.198415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.198415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.598415 (E_RNA)
where:
Base-Base interactions energy: -623.417
where: short stacking energy: -264.252
Base-Backbone interact. energy: 1.170
local terms energy: -295.352235
where:
bonds (distance) C4'-P energy: -69.254
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -43.543
tors. eta vs tors. theta energy: -67.640
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1066.571807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.571807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.571807 (E_RNA)
where:
Base-Base interactions energy: -599.546
where: short stacking energy: -234.546
Base-Backbone interact. energy: -2.523
local terms energy: -275.503575
where:
bonds (distance) C4'-P energy: -53.987
bonds (distance) P-C4' energy: -61.677
flat angles C4'-P-C4' energy: -64.298
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -53.915
Dist. restrs. and SS energy: -189.000 (S_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: 482
Temperature: 1.350000
Total energy: -1062.973241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.973241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.373241 (E_RNA)
where:
Base-Base interactions energy: -587.283
where: short stacking energy: -233.757
Base-Backbone interact. energy: 3.980
local terms energy: -287.070332
where:
bonds (distance) C4'-P energy: -54.101
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -72.141
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -54.550
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1506.187839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.187839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.187839 (E_RNA)
where:
Base-Base interactions energy: -917.375
where: short stacking energy: -356.133
Base-Backbone interact. energy: -3.220
local terms energy: -378.592625
where:
bonds (distance) C4'-P energy: -69.479
bonds (distance) P-C4' energy: -67.679
flat angles C4'-P-C4' energy: -82.260
flat angles P-C4'-P energy: -59.742
tors. eta vs tors. theta energy: -99.433
Dist. restrs. and SS energy: -207.000 (S_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: 483
Temperature: 0.950000
Total energy: -1448.698598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.698598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.698598 (E_RNA)
where:
Base-Base interactions energy: -868.628
where: short stacking energy: -343.180
Base-Backbone interact. energy: -0.264
local terms energy: -372.806139
where:
bonds (distance) C4'-P energy: -73.910
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -84.321
flat angles P-C4'-P energy: -61.231
tors. eta vs tors. theta energy: -88.579
Dist. restrs. and SS energy: -207.000 (S_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: 483
Temperature: 1.000000
Total energy: -1429.610861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.610861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.010861 (E_RNA)
where:
Base-Base interactions energy: -860.427
where: short stacking energy: -354.749
Base-Backbone interact. energy: -4.327
local terms energy: -363.256731
where:
bonds (distance) C4'-P energy: -72.807
bonds (distance) P-C4' energy: -77.053
flat angles C4'-P-C4' energy: -75.889
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -96.100
Dist. restrs. and SS energy: -201.600 (S_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: 483
Temperature: 1.050000
Total energy: -1353.723190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.723190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.723190 (E_RNA)
where:
Base-Base interactions energy: -795.076
where: short stacking energy: -329.431
Base-Backbone interact. energy: -1.565
local terms energy: -341.081485
where:
bonds (distance) C4'-P energy: -68.499
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -83.431
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -84.296
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1336.315791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.315791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.715791 (E_RNA)
where:
Base-Base interactions energy: -802.382
where: short stacking energy: -297.269
Base-Backbone interact. energy: -3.658
local terms energy: -310.676111
where:
bonds (distance) C4'-P energy: -50.080
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -67.235
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -80.547
Dist. restrs. and SS energy: -219.600 (S_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: -1310.594633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.594633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.394633 (E_RNA)
where:
Base-Base interactions energy: -765.130
where: short stacking energy: -293.504
Base-Backbone interact. energy: -1.872
local terms energy: -338.393379
where:
bonds (distance) C4'-P energy: -67.763
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -50.236
tors. eta vs tors. theta energy: -79.330
Dist. restrs. and SS energy: -205.200 (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: 483
Temperature: 1.200000
Total energy: -1227.891853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.891853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.091853 (E_RNA)
where:
Base-Base interactions energy: -732.198
where: short stacking energy: -283.064
Base-Backbone interact. energy: 6.779
local terms energy: -293.672856
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -57.167
flat angles C4'-P-C4' energy: -70.330
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -72.028
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1095.234802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.234802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.034802 (E_RNA)
where:
Base-Base interactions energy: -632.494
where: short stacking energy: -258.701
Base-Backbone interact. energy: 6.402
local terms energy: -272.942829
where:
bonds (distance) C4'-P energy: -56.399
bonds (distance) P-C4' energy: -53.705
flat angles C4'-P-C4' energy: -74.382
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -50.375
Dist. restrs. and SS energy: -196.200 (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: 483
Temperature: 1.300000
Total energy: -1073.416758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.416758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.416758 (E_RNA)
where:
Base-Base interactions energy: -619.703
where: short stacking energy: -268.534
Base-Backbone interact. energy: -0.256
local terms energy: -273.457437
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -53.614
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -48.962
tors. eta vs tors. theta energy: -68.938
Dist. restrs. and SS energy: -180.000 (S_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: 483
Temperature: 1.350000
Total energy: -1023.218965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.218965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.818965 (E_RNA)
where:
Base-Base interactions energy: -561.390
where: short stacking energy: -218.439
Base-Backbone interact. energy: -0.431
local terms energy: -275.997945
where:
bonds (distance) C4'-P energy: -52.624
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -59.081
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -61.213
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1497.972361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.972361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.772361 (E_RNA)
where:
Base-Base interactions energy: -912.550
where: short stacking energy: -354.591
Base-Backbone interact. energy: -4.542
local terms energy: -375.680999
where:
bonds (distance) C4'-P energy: -68.665
bonds (distance) P-C4' energy: -71.268
flat angles C4'-P-C4' energy: -82.410
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -102.394
Dist. restrs. and SS energy: -205.200 (S_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: 484
Temperature: 0.950000
Total energy: -1440.618688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.618688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.618688 (E_RNA)
where:
Base-Base interactions energy: -864.190
where: short stacking energy: -331.802
Base-Backbone interact. energy: -3.949
local terms energy: -365.479140
where:
bonds (distance) C4'-P energy: -71.241
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -80.246
flat angles P-C4'-P energy: -54.330
tors. eta vs tors. theta energy: -87.023
Dist. restrs. and SS energy: -207.000 (S_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: 484
Temperature: 1.000000
Total energy: -1380.847777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.847777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.447777 (E_RNA)
where:
Base-Base interactions energy: -804.361
where: short stacking energy: -324.821
Base-Backbone interact. energy: -1.204
local terms energy: -362.882446
where:
bonds (distance) C4'-P energy: -69.360
bonds (distance) P-C4' energy: -76.289
flat angles C4'-P-C4' energy: -75.319
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -95.341
Dist. restrs. and SS energy: -212.400 (S_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: 484
Temperature: 1.050000
Total energy: -1383.965779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.965779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.365779 (E_RNA)
where:
Base-Base interactions energy: -837.425
where: short stacking energy: -326.374
Base-Backbone interact. energy: -2.147
local terms energy: -342.793228
where:
bonds (distance) C4'-P energy: -65.575
bonds (distance) P-C4' energy: -69.872
flat angles C4'-P-C4' energy: -75.990
flat angles P-C4'-P energy: -49.510
tors. eta vs tors. theta energy: -81.845
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1308.402085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.402085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.002085 (E_RNA)
where:
Base-Base interactions energy: -774.765
where: short stacking energy: -303.158
Base-Backbone interact. energy: -2.603
local terms energy: -309.633596
where:
bonds (distance) C4'-P energy: -56.835
bonds (distance) P-C4' energy: -59.498
flat angles C4'-P-C4' energy: -75.506
flat angles P-C4'-P energy: -44.258
tors. eta vs tors. theta energy: -73.536
Dist. restrs. and SS energy: -221.400 (S_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: 484
Temperature: 1.150000
Total energy: -1268.643744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.643744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.243744 (E_RNA)
where:
Base-Base interactions energy: -741.112
where: short stacking energy: -311.692
Base-Backbone interact. energy: -0.987
local terms energy: -323.144709
where:
bonds (distance) C4'-P energy: -64.548
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -70.349
flat angles P-C4'-P energy: -48.326
tors. eta vs tors. theta energy: -78.833
Dist. restrs. and SS energy: -203.400 (S_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: 484
Temperature: 1.200000
Total energy: -1206.280220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.280220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.680220 (E_RNA)
where:
Base-Base interactions energy: -726.137
where: short stacking energy: -271.625
Base-Backbone interact. energy: -3.393
local terms energy: -266.150856
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -56.803
flat angles C4'-P-C4' energy: -70.700
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -58.222
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1142.524699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.524699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.324699 (E_RNA)
where:
Base-Base interactions energy: -631.628
where: short stacking energy: -237.877
Base-Backbone interact. energy: -1.367
local terms energy: -304.329834
where:
bonds (distance) C4'-P energy: -65.751
bonds (distance) P-C4' energy: -68.627
flat angles C4'-P-C4' energy: -71.880
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -63.669
Dist. restrs. and SS energy: -205.200 (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: 484
Temperature: 1.300000
Total energy: -1067.863587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.863587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.463587 (E_RNA)
where:
Base-Base interactions energy: -614.840
where: short stacking energy: -236.016
Base-Backbone interact. energy: -0.020
local terms energy: -276.603645
where:
bonds (distance) C4'-P energy: -59.748
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -40.117
tors. eta vs tors. theta energy: -56.212
Dist. restrs. and SS energy: -176.400 (S_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: 484
Temperature: 1.350000
Total energy: -1027.654305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.654305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.454305 (E_RNA)
where:
Base-Base interactions energy: -565.263
where: short stacking energy: -216.592
Base-Backbone interact. energy: -3.426
local terms energy: -271.765281
where:
bonds (distance) C4'-P energy: -56.993
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -69.420
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -68.107
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1501.351934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.351934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.151934 (E_RNA)
where:
Base-Base interactions energy: -903.213
where: short stacking energy: -339.369
Base-Backbone interact. energy: -2.716
local terms energy: -390.223169
where:
bonds (distance) C4'-P energy: -78.145
bonds (distance) P-C4' energy: -79.614
flat angles C4'-P-C4' energy: -71.257
flat angles P-C4'-P energy: -61.100
tors. eta vs tors. theta energy: -100.107
Dist. restrs. and SS energy: -205.200 (S_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: 485
Temperature: 0.950000
Total energy: -1457.970763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.970763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.370763 (E_RNA)
where:
Base-Base interactions energy: -877.685
where: short stacking energy: -339.230
Base-Backbone interact. energy: -2.206
local terms energy: -376.479495
where:
bonds (distance) C4'-P energy: -73.286
bonds (distance) P-C4' energy: -69.256
flat angles C4'-P-C4' energy: -90.314
flat angles P-C4'-P energy: -57.095
tors. eta vs tors. theta energy: -86.529
Dist. restrs. and SS energy: -201.600 (S_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: 485
Temperature: 1.000000
Total energy: -1386.833568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.833568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.433568 (E_RNA)
where:
Base-Base interactions energy: -831.265
where: short stacking energy: -337.756
Base-Backbone interact. energy: -1.772
local terms energy: -341.397067
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -62.190
flat angles C4'-P-C4' energy: -72.998
flat angles P-C4'-P energy: -48.951
tors. eta vs tors. theta energy: -89.274
Dist. restrs. and SS energy: -212.400 (S_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: 485
Temperature: 1.050000
Total energy: -1381.443458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.443458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.843458 (E_RNA)
where:
Base-Base interactions energy: -840.943
where: short stacking energy: -322.023
Base-Backbone interact. energy: -0.905
local terms energy: -337.995400
where:
bonds (distance) C4'-P energy: -58.698
bonds (distance) P-C4' energy: -72.365
flat angles C4'-P-C4' energy: -78.786
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -77.826
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1322.976772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.976772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.376772 (E_RNA)
where:
Base-Base interactions energy: -782.009
where: short stacking energy: -297.361
Base-Backbone interact. energy: -2.516
local terms energy: -318.852025
where:
bonds (distance) C4'-P energy: -56.462
bonds (distance) P-C4' energy: -65.162
flat angles C4'-P-C4' energy: -77.403
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: -71.494
Dist. restrs. and SS energy: -219.600 (S_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: 485
Temperature: 1.150000
Total energy: -1314.549826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.549826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.549826 (E_RNA)
where:
Base-Base interactions energy: -786.425
where: short stacking energy: -301.582
Base-Backbone interact. energy: -1.712
local terms energy: -319.412893
where:
bonds (distance) C4'-P energy: -61.228
bonds (distance) P-C4' energy: -60.409
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -75.995
Dist. restrs. and SS energy: -207.000 (S_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: 485
Temperature: 1.200000
Total energy: -1214.530754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.530754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.130754 (E_RNA)
where:
Base-Base interactions energy: -692.941
where: short stacking energy: -260.461
Base-Backbone interact. energy: -0.655
local terms energy: -308.534842
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -72.072
flat angles C4'-P-C4' energy: -70.155
flat angles P-C4'-P energy: -53.191
tors. eta vs tors. theta energy: -61.469
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1125.545698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.545698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.945698 (E_RNA)
where:
Base-Base interactions energy: -621.846
where: short stacking energy: -235.022
Base-Backbone interact. energy: -0.707
local terms energy: -301.392403
where:
bonds (distance) C4'-P energy: -66.039
bonds (distance) P-C4' energy: -59.371
flat angles C4'-P-C4' energy: -73.470
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -59.191
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1062.639228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.639228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.239228 (E_RNA)
where:
Base-Base interactions energy: -589.584
where: short stacking energy: -227.363
Base-Backbone interact. energy: 1.949
local terms energy: -289.604066
where:
bonds (distance) C4'-P energy: -62.898
bonds (distance) P-C4' energy: -71.789
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -52.367
tors. eta vs tors. theta energy: -45.719
Dist. restrs. and SS energy: -185.400 (S_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: 485
Temperature: 1.350000
Total energy: -1015.638679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.638679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.638679 (E_RNA)
where:
Base-Base interactions energy: -560.886
where: short stacking energy: -222.990
Base-Backbone interact. energy: -1.465
local terms energy: -264.288293
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -66.065
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -60.069
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1498.396639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.396639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.596639 (E_RNA)
where:
Base-Base interactions energy: -926.495
where: short stacking energy: -337.407
Base-Backbone interact. energy: 1.102
local terms energy: -364.203549
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -73.951
flat angles C4'-P-C4' energy: -83.744
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -97.189
Dist. restrs. and SS energy: -208.800 (S_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: -1437.364975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.364975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.964975 (E_RNA)
where:
Base-Base interactions energy: -869.310
where: short stacking energy: -341.965
Base-Backbone interact. energy: 0.910
local terms energy: -365.564409
where:
bonds (distance) C4'-P energy: -70.116
bonds (distance) P-C4' energy: -70.453
flat angles C4'-P-C4' energy: -76.221
flat angles P-C4'-P energy: -56.707
tors. eta vs tors. theta energy: -92.066
Dist. restrs. and SS energy: -203.400 (S_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: 486
Temperature: 1.000000
Total energy: -1407.522600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.522600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.322600 (E_RNA)
where:
Base-Base interactions energy: -863.757
where: short stacking energy: -339.154
Base-Backbone interact. energy: -1.763
local terms energy: -327.802725
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -68.410
flat angles C4'-P-C4' energy: -67.164
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: -90.240
Dist. restrs. and SS energy: -214.200 (S_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: 486
Temperature: 1.050000
Total energy: -1365.875442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.875442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.875442 (E_RNA)
where:
Base-Base interactions energy: -813.570
where: short stacking energy: -332.177
Base-Backbone interact. energy: -2.003
local terms energy: -352.303127
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -76.540
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -87.286
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1306.350675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.350675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.550675 (E_RNA)
where:
Base-Base interactions energy: -765.080
where: short stacking energy: -331.092
Base-Backbone interact. energy: -2.481
local terms energy: -329.989854
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -70.328
flat angles C4'-P-C4' energy: -66.770
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -78.390
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1298.238642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.238642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.638642 (E_RNA)
where:
Base-Base interactions energy: -793.631
where: short stacking energy: -302.502
Base-Backbone interact. energy: 0.830
local terms energy: -285.838456
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -48.947
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -79.214
Dist. restrs. and SS energy: -219.600 (S_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: 486
Temperature: 1.200000
Total energy: -1181.812350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.812350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.012350 (E_RNA)
where:
Base-Base interactions energy: -668.161
where: short stacking energy: -266.310
Base-Backbone interact. energy: -1.027
local terms energy: -312.825287
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -65.586
flat angles C4'-P-C4' energy: -71.528
flat angles P-C4'-P energy: -53.258
tors. eta vs tors. theta energy: -58.140
Dist. restrs. and SS energy: -199.800 (S_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: 486
Temperature: 1.250000
Total energy: -1205.978844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.978844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.778844 (E_RNA)
where:
Base-Base interactions energy: -710.514
where: short stacking energy: -269.898
Base-Backbone interact. energy: -2.467
local terms energy: -278.797977
where:
bonds (distance) C4'-P energy: -56.310
bonds (distance) P-C4' energy: -67.824
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -63.352
Dist. restrs. and SS energy: -214.200 (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: 486
Temperature: 1.300000
Total energy: -1042.051621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.051621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.051621 (E_RNA)
where:
Base-Base interactions energy: -599.345
where: short stacking energy: -244.052
Base-Backbone interact. energy: 5.103
local terms energy: -267.809496
where:
bonds (distance) C4'-P energy: -57.229
bonds (distance) P-C4' energy: -54.715
flat angles C4'-P-C4' energy: -50.166
flat angles P-C4'-P energy: -51.495
tors. eta vs tors. theta energy: -54.204
Dist. restrs. and SS energy: -180.000 (S_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: 486
Temperature: 1.350000
Total energy: -1044.094147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.094147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.294147 (E_RNA)
where:
Base-Base interactions energy: -560.090
where: short stacking energy: -230.377
Base-Backbone interact. energy: -1.728
local terms energy: -300.475800
where:
bonds (distance) C4'-P energy: -64.506
bonds (distance) P-C4' energy: -75.157
flat angles C4'-P-C4' energy: -62.373
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -63.474
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1499.392912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.392912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.392912 (E_RNA)
where:
Base-Base interactions energy: -913.863
where: short stacking energy: -324.974
Base-Backbone interact. energy: -1.585
local terms energy: -376.945594
where:
bonds (distance) C4'-P energy: -74.551
bonds (distance) P-C4' energy: -76.663
flat angles C4'-P-C4' energy: -82.457
flat angles P-C4'-P energy: -47.296
tors. eta vs tors. theta energy: -95.979
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1432.643599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.643599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.443599 (E_RNA)
where:
Base-Base interactions energy: -854.358
where: short stacking energy: -348.479
Base-Backbone interact. energy: -1.494
local terms energy: -371.591704
where:
bonds (distance) C4'-P energy: -70.915
bonds (distance) P-C4' energy: -69.542
flat angles C4'-P-C4' energy: -89.536
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -92.955
Dist. restrs. and SS energy: -205.200 (S_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: 487
Temperature: 1.000000
Total energy: -1401.789848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.789848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.589848 (E_RNA)
where:
Base-Base interactions energy: -819.271
where: short stacking energy: -316.594
Base-Backbone interact. energy: -2.533
local terms energy: -365.785722
where:
bonds (distance) C4'-P energy: -70.359
bonds (distance) P-C4' energy: -73.475
flat angles C4'-P-C4' energy: -80.232
flat angles P-C4'-P energy: -61.517
tors. eta vs tors. theta energy: -80.203
Dist. restrs. and SS energy: -214.200 (S_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: 487
Temperature: 1.050000
Total energy: -1383.490101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.490101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.690101 (E_RNA)
where:
Base-Base interactions energy: -838.815
where: short stacking energy: -322.363
Base-Backbone interact. energy: 0.235
local terms energy: -345.110319
where:
bonds (distance) C4'-P energy: -64.051
bonds (distance) P-C4' energy: -67.261
flat angles C4'-P-C4' energy: -76.006
flat angles P-C4'-P energy: -56.238
tors. eta vs tors. theta energy: -81.554
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. 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: -1332.888339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.888339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.688339 (E_RNA)
where:
Base-Base interactions energy: -800.555
where: short stacking energy: -333.877
Base-Backbone interact. energy: 0.056
local terms energy: -327.190244
where:
bonds (distance) C4'-P energy: -62.922
bonds (distance) P-C4' energy: -55.090
flat angles C4'-P-C4' energy: -75.969
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -91.892
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1296.252743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.252743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.252743 (E_RNA)
where:
Base-Base interactions energy: -756.929
where: short stacking energy: -298.821
Base-Backbone interact. energy: 1.050
local terms energy: -324.373654
where:
bonds (distance) C4'-P energy: -56.838
bonds (distance) P-C4' energy: -75.608
flat angles C4'-P-C4' energy: -70.633
flat angles P-C4'-P energy: -52.168
tors. eta vs tors. theta energy: -69.126
Dist. restrs. and SS energy: -216.000 (S_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: 487
Temperature: 1.200000
Total energy: -1168.076090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.076090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.076090 (E_RNA)
where:
Base-Base interactions energy: -653.039
where: short stacking energy: -262.627
Base-Backbone interact. energy: -3.086
local terms energy: -313.951467
where:
bonds (distance) C4'-P energy: -58.843
bonds (distance) P-C4' energy: -74.741
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -63.136
Dist. restrs. and SS energy: -198.000 (S_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: 487
Temperature: 1.250000
Total energy: -1191.886772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.886772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.686772 (E_RNA)
where:
Base-Base interactions energy: -696.952
where: short stacking energy: -268.098
Base-Backbone interact. energy: -1.245
local terms energy: -279.490457
where:
bonds (distance) C4'-P energy: -52.441
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -68.681
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -64.286
Dist. restrs. and SS energy: -214.200 (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: 487
Temperature: 1.300000
Total energy: -1050.312081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.312081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.512081 (E_RNA)
where:
Base-Base interactions energy: -599.202
where: short stacking energy: -241.260
Base-Backbone interact. energy: 0.223
local terms energy: -269.532887
where:
bonds (distance) C4'-P energy: -60.614
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -71.244
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: -181.800 (S_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: 487
Temperature: 1.350000
Total energy: -1010.064926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.064926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.064926 (E_RNA)
where:
Base-Base interactions energy: -561.356
where: short stacking energy: -217.398
Base-Backbone interact. energy: -0.729
local terms energy: -258.980062
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -68.079
flat angles C4'-P-C4' energy: -53.998
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -39.840
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1498.637122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.637122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.637122 (E_RNA)
where:
Base-Base interactions energy: -912.779
where: short stacking energy: -333.914
Base-Backbone interact. energy: -0.217
local terms energy: -378.641137
where:
bonds (distance) C4'-P energy: -77.248
bonds (distance) P-C4' energy: -76.230
flat angles C4'-P-C4' energy: -80.700
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -93.603
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1449.685931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.685931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.485931 (E_RNA)
where:
Base-Base interactions energy: -883.595
where: short stacking energy: -347.839
Base-Backbone interact. energy: -1.724
local terms energy: -359.167247
where:
bonds (distance) C4'-P energy: -67.220
bonds (distance) P-C4' energy: -66.865
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -47.202
tors. eta vs tors. theta energy: -97.899
Dist. restrs. and SS energy: -205.200 (S_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: 488
Temperature: 1.000000
Total energy: -1404.671195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.671195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.671195 (E_RNA)
where:
Base-Base interactions energy: -858.374
where: short stacking energy: -337.574
Base-Backbone interact. energy: -0.184
local terms energy: -330.113453
where:
bonds (distance) C4'-P energy: -70.373
bonds (distance) P-C4' energy: -53.815
flat angles C4'-P-C4' energy: -73.690
flat angles P-C4'-P energy: -46.504
tors. eta vs tors. theta energy: -85.732
Dist. restrs. and SS energy: -216.000 (S_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: 488
Temperature: 1.050000
Total energy: -1391.006901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.006901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.006901 (E_RNA)
where:
Base-Base interactions energy: -841.810
where: short stacking energy: -336.079
Base-Backbone interact. energy: -1.685
local terms energy: -349.511990
where:
bonds (distance) C4'-P energy: -59.314
bonds (distance) P-C4' energy: -61.575
flat angles C4'-P-C4' energy: -81.330
flat angles P-C4'-P energy: -61.062
tors. eta vs tors. theta energy: -86.231
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1338.804308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.804308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.804308 (E_RNA)
where:
Base-Base interactions energy: -790.392
where: short stacking energy: -318.817
Base-Backbone interact. energy: -0.359
local terms energy: -341.052805
where:
bonds (distance) C4'-P energy: -64.775
bonds (distance) P-C4' energy: -68.104
flat angles C4'-P-C4' energy: -68.012
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -90.444
Dist. restrs. and SS energy: -207.000 (S_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: 488
Temperature: 1.150000
Total energy: -1268.176838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.176838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.376838 (E_RNA)
where:
Base-Base interactions energy: -754.908
where: short stacking energy: -282.547
Base-Backbone interact. energy: 0.029
local terms energy: -295.498004
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -65.430
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -72.273
Dist. restrs. and SS energy: -217.800 (S_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: 488
Temperature: 1.200000
Total energy: -1227.263373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.263373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.663373 (E_RNA)
where:
Base-Base interactions energy: -714.498
where: short stacking energy: -284.176
Base-Backbone interact. energy: -4.720
local terms energy: -297.446352
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -74.205
flat angles P-C4'-P energy: -38.799
tors. eta vs tors. theta energy: -56.441
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1124.982467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.982467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.182467 (E_RNA)
where:
Base-Base interactions energy: -655.580
where: short stacking energy: -261.577
Base-Backbone interact. energy: 4.332
local terms energy: -273.933832
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -48.534
flat angles C4'-P-C4' energy: -65.995
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -59.725
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1106.610837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.610837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.410837 (E_RNA)
where:
Base-Base interactions energy: -637.836
where: short stacking energy: -250.254
Base-Backbone interact. energy: 1.034
local terms energy: -291.608858
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -56.538
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -63.570
Dist. restrs. and SS energy: -178.200 (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: 488
Temperature: 1.350000
Total energy: -1017.335350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.335350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.335350 (E_RNA)
where:
Base-Base interactions energy: -558.016
where: short stacking energy: -219.455
Base-Backbone interact. energy: 2.038
local terms energy: -272.356970
where:
bonds (distance) C4'-P energy: -59.996
bonds (distance) P-C4' energy: -58.543
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -44.034
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1496.775631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.775631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.775631 (E_RNA)
where:
Base-Base interactions energy: -913.327
where: short stacking energy: -362.184
Base-Backbone interact. energy: -1.638
local terms energy: -374.810307
where:
bonds (distance) C4'-P energy: -65.766
bonds (distance) P-C4' energy: -69.391
flat angles C4'-P-C4' energy: -78.778
flat angles P-C4'-P energy: -58.759
tors. eta vs tors. theta energy: -102.116
Dist. restrs. and SS energy: -207.000 (S_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: -1443.173681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.173681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.973681 (E_RNA)
where:
Base-Base interactions energy: -862.726
where: short stacking energy: -356.103
Base-Backbone interact. energy: -1.935
local terms energy: -373.312776
where:
bonds (distance) C4'-P energy: -72.975
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -82.316
flat angles P-C4'-P energy: -49.927
tors. eta vs tors. theta energy: -101.748
Dist. restrs. and SS energy: -205.200 (S_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: 489
Temperature: 1.000000
Total energy: -1415.530040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.530040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.530040 (E_RNA)
where:
Base-Base interactions energy: -847.455
where: short stacking energy: -331.467
Base-Backbone interact. energy: 2.749
local terms energy: -354.823768
where:
bonds (distance) C4'-P energy: -67.144
bonds (distance) P-C4' energy: -67.506
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -54.191
tors. eta vs tors. theta energy: -84.735
Dist. restrs. and SS energy: -216.000 (S_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: 489
Temperature: 1.050000
Total energy: -1391.660658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.660658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.860658 (E_RNA)
where:
Base-Base interactions energy: -847.296
where: short stacking energy: -341.107
Base-Backbone interact. energy: -2.772
local terms energy: -341.792536
where:
bonds (distance) C4'-P energy: -52.683
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -75.835
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -94.867
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1334.602757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.602757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.602757 (E_RNA)
where:
Base-Base interactions energy: -791.221
where: short stacking energy: -320.811
Base-Backbone interact. energy: -0.718
local terms energy: -335.664489
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -65.616
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: -84.806
Dist. restrs. and SS energy: -207.000 (S_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: 489
Temperature: 1.150000
Total energy: -1279.710560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.710560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.110560 (E_RNA)
where:
Base-Base interactions energy: -761.978
where: short stacking energy: -266.267
Base-Backbone interact. energy: -1.331
local terms energy: -305.801751
where:
bonds (distance) C4'-P energy: -55.789
bonds (distance) P-C4' energy: -71.857
flat angles C4'-P-C4' energy: -71.274
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: -68.496
Dist. restrs. and SS energy: -210.600 (S_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: 489
Temperature: 1.200000
Total energy: -1209.313923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.313923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.313923 (E_RNA)
where:
Base-Base interactions energy: -694.090
where: short stacking energy: -279.455
Base-Backbone interact. energy: -1.658
local terms energy: -297.565704
where:
bonds (distance) C4'-P energy: -61.726
bonds (distance) P-C4' energy: -55.567
flat angles C4'-P-C4' energy: -70.466
flat angles P-C4'-P energy: -47.088
tors. eta vs tors. theta energy: -62.718
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. 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: -1150.729927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.729927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.529927 (E_RNA)
where:
Base-Base interactions energy: -648.776
where: short stacking energy: -270.399
Base-Backbone interact. energy: -1.643
local terms energy: -304.111780
where:
bonds (distance) C4'-P energy: -51.721
bonds (distance) P-C4' energy: -71.830
flat angles C4'-P-C4' energy: -72.527
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -63.224
Dist. restrs. and SS energy: -196.200 (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: 489
Temperature: 1.300000
Total energy: -1054.342786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.342786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.342786 (E_RNA)
where:
Base-Base interactions energy: -622.465
where: short stacking energy: -241.942
Base-Backbone interact. energy: 1.463
local terms energy: -253.340815
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -68.222
flat angles P-C4'-P energy: -28.429
tors. eta vs tors. theta energy: -53.392
Dist. restrs. and SS energy: -180.000 (S_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: 489
Temperature: 1.350000
Total energy: -1024.743506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.743506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.743506 (E_RNA)
where:
Base-Base interactions energy: -577.539
where: short stacking energy: -206.666
Base-Backbone interact. energy: -2.142
local terms energy: -247.062375
where:
bonds (distance) C4'-P energy: -41.390
bonds (distance) P-C4' energy: -61.518
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -34.931
tors. eta vs tors. theta energy: -48.288
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1487.509930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.509930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.909930 (E_RNA)
where:
Base-Base interactions energy: -904.270
where: short stacking energy: -362.609
Base-Backbone interact. energy: -1.646
local terms energy: -379.994199
where:
bonds (distance) C4'-P energy: -72.574
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -82.811
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -99.084
Dist. restrs. and SS energy: -201.600 (S_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: -1461.752527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.752527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.152527 (E_RNA)
where:
Base-Base interactions energy: -885.303
where: short stacking energy: -361.215
Base-Backbone interact. energy: -2.510
local terms energy: -372.338746
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -79.207
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -103.743
Dist. restrs. and SS energy: -201.600 (S_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: 490
Temperature: 1.000000
Total energy: -1401.882553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.882553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.082553 (E_RNA)
where:
Base-Base interactions energy: -854.707
where: short stacking energy: -340.973
Base-Backbone interact. energy: -1.254
local terms energy: -346.122282
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -65.143
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -48.970
tors. eta vs tors. theta energy: -88.017
Dist. restrs. and SS energy: -199.800 (S_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: 490
Temperature: 1.050000
Total energy: -1393.765099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.765099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.565099 (E_RNA)
where:
Base-Base interactions energy: -831.148
where: short stacking energy: -319.772
Base-Backbone interact. energy: -3.203
local terms energy: -345.213736
where:
bonds (distance) C4'-P energy: -60.384
bonds (distance) P-C4' energy: -75.016
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -80.482
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1339.388392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.388392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.188392 (E_RNA)
where:
Base-Base interactions energy: -798.668
where: short stacking energy: -333.692
Base-Backbone interact. energy: 0.950
local terms energy: -336.470177
where:
bonds (distance) C4'-P energy: -71.675
bonds (distance) P-C4' energy: -69.039
flat angles C4'-P-C4' energy: -75.527
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -91.933
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1294.379844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.379844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.779844 (E_RNA)
where:
Base-Base interactions energy: -761.689
where: short stacking energy: -296.747
Base-Backbone interact. energy: 0.086
local terms energy: -322.176670
where:
bonds (distance) C4'-P energy: -68.192
bonds (distance) P-C4' energy: -64.986
flat angles C4'-P-C4' energy: -77.768
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -67.789
Dist. restrs. and SS energy: -210.600 (S_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: 490
Temperature: 1.200000
Total energy: -1244.630677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.630677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.030677 (E_RNA)
where:
Base-Base interactions energy: -735.676
where: short stacking energy: -306.183
Base-Backbone interact. energy: 1.642
local terms energy: -299.996763
where:
bonds (distance) C4'-P energy: -63.578
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -65.838
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -78.050
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1131.143904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.143904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.943904 (E_RNA)
where:
Base-Base interactions energy: -643.308
where: short stacking energy: -245.195
Base-Backbone interact. energy: -1.121
local terms energy: -290.515247
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -49.889
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -53.980
tors. eta vs tors. theta energy: -62.305
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1059.483300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.483300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.283300 (E_RNA)
where:
Base-Base interactions energy: -594.474
where: short stacking energy: -240.383
Base-Backbone interact. energy: 2.033
local terms energy: -279.842839
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -69.868
flat angles C4'-P-C4' energy: -64.593
flat angles P-C4'-P energy: -38.623
tors. eta vs tors. theta energy: -54.720
Dist. restrs. and SS energy: -187.200 (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: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1029.749113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.749113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.349113 (E_RNA)
where:
Base-Base interactions energy: -566.943
where: short stacking energy: -238.428
Base-Backbone interact. energy: -0.539
local terms energy: -276.866263
where:
bonds (distance) C4'-P energy: -58.418
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -48.776
tors. eta vs tors. theta energy: -48.960
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1506.679701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.679701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.479701 (E_RNA)
where:
Base-Base interactions energy: -927.163
where: short stacking energy: -366.593
Base-Backbone interact. energy: -3.451
local terms energy: -370.865645
where:
bonds (distance) C4'-P energy: -69.234
bonds (distance) P-C4' energy: -70.044
flat angles C4'-P-C4' energy: -77.230
flat angles P-C4'-P energy: -57.131
tors. eta vs tors. theta energy: -97.227
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1470.370412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.370412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.570412 (E_RNA)
where:
Base-Base interactions energy: -893.084
where: short stacking energy: -352.273
Base-Backbone interact. energy: -0.481
local terms energy: -368.005866
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -79.696
flat angles P-C4'-P energy: -62.394
tors. eta vs tors. theta energy: -96.580
Dist. restrs. and SS energy: -208.800 (S_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: 491
Temperature: 1.000000
Total energy: -1406.525605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.525605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.525605 (E_RNA)
where:
Base-Base interactions energy: -856.707
where: short stacking energy: -325.545
Base-Backbone interact. energy: -2.477
local terms energy: -349.341443
where:
bonds (distance) C4'-P energy: -68.110
bonds (distance) P-C4' energy: -73.177
flat angles C4'-P-C4' energy: -75.432
flat angles P-C4'-P energy: -52.331
tors. eta vs tors. theta energy: -80.291
Dist. restrs. and SS energy: -198.000 (S_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: 491
Temperature: 1.050000
Total energy: -1400.491867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.491867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.091867 (E_RNA)
where:
Base-Base interactions energy: -879.643
where: short stacking energy: -342.385
Base-Backbone interact. energy: -2.331
local terms energy: -306.117925
where:
bonds (distance) C4'-P energy: -47.659
bonds (distance) P-C4' energy: -50.619
flat angles C4'-P-C4' energy: -77.244
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -89.999
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. 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: -1314.040937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.040937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.040937 (E_RNA)
where:
Base-Base interactions energy: -764.656
where: short stacking energy: -305.312
Base-Backbone interact. energy: -1.395
local terms energy: -340.990048
where:
bonds (distance) C4'-P energy: -66.712
bonds (distance) P-C4' energy: -79.665
flat angles C4'-P-C4' energy: -73.709
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -80.294
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1294.647535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.647535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.047535 (E_RNA)
where:
Base-Base interactions energy: -769.256
where: short stacking energy: -301.212
Base-Backbone interact. energy: -2.336
local terms energy: -312.454855
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -71.034
flat angles C4'-P-C4' energy: -68.414
flat angles P-C4'-P energy: -43.849
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: -210.600 (S_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: 491
Temperature: 1.200000
Total energy: -1254.577503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.577503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.777503 (E_RNA)
where:
Base-Base interactions energy: -730.245
where: short stacking energy: -303.774
Base-Backbone interact. energy: 0.033
local terms energy: -315.565882
where:
bonds (distance) C4'-P energy: -60.459
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -75.469
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -80.825
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1107.937892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.937892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.337892 (E_RNA)
where:
Base-Base interactions energy: -649.543
where: short stacking energy: -261.750
Base-Backbone interact. energy: -1.609
local terms energy: -273.186534
where:
bonds (distance) C4'-P energy: -54.183
bonds (distance) P-C4' energy: -53.357
flat angles C4'-P-C4' energy: -71.235
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -61.484
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1108.999487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.999487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.199487 (E_RNA)
where:
Base-Base interactions energy: -620.698
where: short stacking energy: -247.701
Base-Backbone interact. energy: -1.164
local terms energy: -296.337408
where:
bonds (distance) C4'-P energy: -55.590
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -68.804
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1067.426939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.426939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.626939 (E_RNA)
where:
Base-Base interactions energy: -587.953
where: short stacking energy: -238.649
Base-Backbone interact. energy: -1.953
local terms energy: -295.720557
where:
bonds (distance) C4'-P energy: -57.446
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -76.465
flat angles P-C4'-P energy: -45.232
tors. eta vs tors. theta energy: -46.740
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1504.838315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.838315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.838315 (E_RNA)
where:
Base-Base interactions energy: -913.339
where: short stacking energy: -340.947
Base-Backbone interact. energy: -2.449
local terms energy: -382.049869
where:
bonds (distance) C4'-P energy: -77.596
bonds (distance) P-C4' energy: -71.764
flat angles C4'-P-C4' energy: -78.355
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -96.526
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1450.674624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.674624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.674624 (E_RNA)
where:
Base-Base interactions energy: -864.397
where: short stacking energy: -341.586
Base-Backbone interact. energy: -1.673
local terms energy: -377.605439
where:
bonds (distance) C4'-P energy: -76.966
bonds (distance) P-C4' energy: -72.408
flat angles C4'-P-C4' energy: -75.591
flat angles P-C4'-P energy: -59.621
tors. eta vs tors. theta energy: -93.019
Dist. restrs. and SS energy: -207.000 (S_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: 492
Temperature: 1.000000
Total energy: -1410.707029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.707029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.907029 (E_RNA)
where:
Base-Base interactions energy: -855.536
where: short stacking energy: -343.749
Base-Backbone interact. energy: -2.186
local terms energy: -353.184521
where:
bonds (distance) C4'-P energy: -71.667
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -70.156
flat angles P-C4'-P energy: -55.337
tors. eta vs tors. theta energy: -92.168
Dist. restrs. and SS energy: -199.800 (S_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: 492
Temperature: 1.050000
Total energy: -1385.204884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.204884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.004884 (E_RNA)
where:
Base-Base interactions energy: -846.935
where: short stacking energy: -332.543
Base-Backbone interact. energy: 1.675
local terms energy: -325.745105
where:
bonds (distance) C4'-P energy: -66.349
bonds (distance) P-C4' energy: -61.671
flat angles C4'-P-C4' energy: -67.553
flat angles P-C4'-P energy: -45.801
tors. eta vs tors. theta energy: -84.372
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1354.371585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.371585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.371585 (E_RNA)
where:
Base-Base interactions energy: -800.453
where: short stacking energy: -311.049
Base-Backbone interact. energy: -2.319
local terms energy: -335.599943
where:
bonds (distance) C4'-P energy: -71.837
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -72.000
flat angles P-C4'-P energy: -55.126
tors. eta vs tors. theta energy: -71.514
Dist. restrs. and SS energy: -216.000 (S_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: -1263.272313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.272313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.272313 (E_RNA)
where:
Base-Base interactions energy: -715.061
where: short stacking energy: -299.455
Base-Backbone interact. energy: -1.009
local terms energy: -340.202019
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -76.451
flat angles C4'-P-C4' energy: -74.426
flat angles P-C4'-P energy: -53.766
tors. eta vs tors. theta energy: -83.123
Dist. restrs. and SS energy: -207.000 (S_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: 492
Temperature: 1.200000
Total energy: -1242.991066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.991066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.191066 (E_RNA)
where:
Base-Base interactions energy: -721.385
where: short stacking energy: -295.109
Base-Backbone interact. energy: 1.199
local terms energy: -305.005547
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -71.519
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -65.781
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1086.688102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.688102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.488102 (E_RNA)
where:
Base-Base interactions energy: -607.897
where: short stacking energy: -268.498
Base-Backbone interact. energy: -0.240
local terms energy: -291.350978
where:
bonds (distance) C4'-P energy: -61.027
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -67.329
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -77.271
Dist. restrs. and SS energy: -187.200 (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: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1086.983823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.983823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.183823 (E_RNA)
where:
Base-Base interactions energy: -594.624
where: short stacking energy: -242.732
Base-Backbone interact. energy: -3.645
local terms energy: -297.914945
where:
bonds (distance) C4'-P energy: -70.067
bonds (distance) P-C4' energy: -57.997
flat angles C4'-P-C4' energy: -77.059
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -56.697
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. 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: -992.305653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.305653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.305653 (E_RNA)
where:
Base-Base interactions energy: -546.150
where: short stacking energy: -227.304
Base-Backbone interact. energy: 2.098
local terms energy: -268.253394
where:
bonds (distance) C4'-P energy: -51.072
bonds (distance) P-C4' energy: -61.397
flat angles C4'-P-C4' energy: -67.413
flat angles P-C4'-P energy: -38.902
tors. eta vs tors. theta energy: -49.469
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1501.189033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.189033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.389033 (E_RNA)
where:
Base-Base interactions energy: -902.583
where: short stacking energy: -327.459
Base-Backbone interact. energy: -3.286
local terms energy: -386.519934
where:
bonds (distance) C4'-P energy: -71.328
bonds (distance) P-C4' energy: -81.118
flat angles C4'-P-C4' energy: -83.481
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -99.593
Dist. restrs. and SS energy: -208.800 (S_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: -1467.799091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.799091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.399091 (E_RNA)
where:
Base-Base interactions energy: -873.729
where: short stacking energy: -359.807
Base-Backbone interact. energy: -1.598
local terms energy: -389.071792
where:
bonds (distance) C4'-P energy: -73.139
bonds (distance) P-C4' energy: -82.540
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -57.557
tors. eta vs tors. theta energy: -95.374
Dist. restrs. and SS energy: -203.400 (S_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: 493
Temperature: 1.000000
Total energy: -1435.374128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.374128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.174128 (E_RNA)
where:
Base-Base interactions energy: -876.769
where: short stacking energy: -354.725
Base-Backbone interact. energy: -2.050
local terms energy: -360.354605
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -65.788
flat angles C4'-P-C4' energy: -76.827
flat angles P-C4'-P energy: -57.599
tors. eta vs tors. theta energy: -92.933
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1361.055650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.055650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.855650 (E_RNA)
where:
Base-Base interactions energy: -808.329
where: short stacking energy: -318.846
Base-Backbone interact. energy: -3.688
local terms energy: -334.838940
where:
bonds (distance) C4'-P energy: -65.385
bonds (distance) P-C4' energy: -64.401
flat angles C4'-P-C4' energy: -72.870
flat angles P-C4'-P energy: -55.861
tors. eta vs tors. theta energy: -76.322
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1370.171551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.171551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.171551 (E_RNA)
where:
Base-Base interactions energy: -807.562
where: short stacking energy: -305.866
Base-Backbone interact. energy: -3.002
local terms energy: -343.607722
where:
bonds (distance) C4'-P energy: -61.216
bonds (distance) P-C4' energy: -71.491
flat angles C4'-P-C4' energy: -65.832
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -80.520
Dist. restrs. and SS energy: -216.000 (S_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: 493
Temperature: 1.150000
Total energy: -1273.367389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.367389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.967389 (E_RNA)
where:
Base-Base interactions energy: -738.181
where: short stacking energy: -292.542
Base-Backbone interact. energy: -3.828
local terms energy: -327.958902
where:
bonds (distance) C4'-P energy: -63.499
bonds (distance) P-C4' energy: -61.937
flat angles C4'-P-C4' energy: -73.278
flat angles P-C4'-P energy: -51.929
tors. eta vs tors. theta energy: -77.316
Dist. restrs. and SS energy: -203.400 (S_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: 493
Temperature: 1.200000
Total energy: -1244.973232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.973232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.973232 (E_RNA)
where:
Base-Base interactions energy: -706.977
where: short stacking energy: -286.330
Base-Backbone interact. energy: -2.349
local terms energy: -319.647764
where:
bonds (distance) C4'-P energy: -55.215
bonds (distance) P-C4' energy: -70.635
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -42.931
tors. eta vs tors. theta energy: -74.663
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1156.140577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.140577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.540577 (E_RNA)
where:
Base-Base interactions energy: -676.047
where: short stacking energy: -265.863
Base-Backbone interact. energy: -3.126
local terms energy: -284.367504
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -50.964
flat angles C4'-P-C4' energy: -73.306
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -66.007
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1089.115137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.115137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.115137 (E_RNA)
where:
Base-Base interactions energy: -594.770
where: short stacking energy: -261.099
Base-Backbone interact. energy: 1.352
local terms energy: -297.697611
where:
bonds (distance) C4'-P energy: -49.775
bonds (distance) P-C4' energy: -60.242
flat angles C4'-P-C4' energy: -68.957
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: -74.030
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. 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: -1012.409758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.409758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.009758 (E_RNA)
where:
Base-Base interactions energy: -558.725
where: short stacking energy: -222.202
Base-Backbone interact. energy: 4.277
local terms energy: -272.562157
where:
bonds (distance) C4'-P energy: -46.551
bonds (distance) P-C4' energy: -56.244
flat angles C4'-P-C4' energy: -64.197
flat angles P-C4'-P energy: -46.500
tors. eta vs tors. theta energy: -59.070
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1482.797068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.797068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.797068 (E_RNA)
where:
Base-Base interactions energy: -904.720
where: short stacking energy: -349.469
Base-Backbone interact. energy: -2.846
local terms energy: -368.231131
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -78.954
flat angles P-C4'-P energy: -49.977
tors. eta vs tors. theta energy: -97.171
Dist. restrs. and SS energy: -207.000 (S_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: -1463.705102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.705102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.705102 (E_RNA)
where:
Base-Base interactions energy: -875.877
where: short stacking energy: -333.207
Base-Backbone interact. energy: -1.350
local terms energy: -379.478017
where:
bonds (distance) C4'-P energy: -79.040
bonds (distance) P-C4' energy: -73.888
flat angles C4'-P-C4' energy: -77.150
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: -93.481
Dist. restrs. and SS energy: -207.000 (S_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: 494
Temperature: 1.000000
Total energy: -1433.784676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.784676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.784676 (E_RNA)
where:
Base-Base interactions energy: -852.830
where: short stacking energy: -332.271
Base-Backbone interact. energy: -3.019
local terms energy: -379.935423
where:
bonds (distance) C4'-P energy: -74.183
bonds (distance) P-C4' energy: -76.649
flat angles C4'-P-C4' energy: -74.783
flat angles P-C4'-P energy: -58.802
tors. eta vs tors. theta energy: -95.519
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1377.696738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.696738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.296738 (E_RNA)
where:
Base-Base interactions energy: -822.271
where: short stacking energy: -326.870
Base-Backbone interact. energy: -1.035
local terms energy: -341.991225
where:
bonds (distance) C4'-P energy: -63.946
bonds (distance) P-C4' energy: -69.040
flat angles C4'-P-C4' energy: -72.261
flat angles P-C4'-P energy: -51.313
tors. eta vs tors. theta energy: -85.431
Dist. restrs. and SS energy: -212.400 (S_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: 494
Temperature: 1.100000
Total energy: -1335.786339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.786339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.786339 (E_RNA)
where:
Base-Base interactions energy: -787.300
where: short stacking energy: -301.925
Base-Backbone interact. energy: 1.308
local terms energy: -333.794989
where:
bonds (distance) C4'-P energy: -74.061
bonds (distance) P-C4' energy: -70.185
flat angles C4'-P-C4' energy: -76.405
flat angles P-C4'-P energy: -39.201
tors. eta vs tors. theta energy: -73.943
Dist. restrs. and SS energy: -216.000 (S_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: 494
Temperature: 1.150000
Total energy: -1299.978782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.978782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.978782 (E_RNA)
where:
Base-Base interactions energy: -765.798
where: short stacking energy: -295.165
Base-Backbone interact. energy: 0.976
local terms energy: -328.156497
where:
bonds (distance) C4'-P energy: -75.525
bonds (distance) P-C4' energy: -58.429
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -53.487
tors. eta vs tors. theta energy: -74.740
Dist. restrs. and SS energy: -207.000 (S_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: 494
Temperature: 1.200000
Total energy: -1212.300233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.300233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.700233 (E_RNA)
where:
Base-Base interactions energy: -713.663
where: short stacking energy: -279.264
Base-Backbone interact. energy: 0.974
local terms energy: -289.010665
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -67.646
flat angles C4'-P-C4' energy: -75.919
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -64.378
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1181.257923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.257923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.457923 (E_RNA)
where:
Base-Base interactions energy: -683.882
where: short stacking energy: -268.645
Base-Backbone interact. energy: -2.156
local terms energy: -295.420638
where:
bonds (distance) C4'-P energy: -52.987
bonds (distance) P-C4' energy: -62.619
flat angles C4'-P-C4' energy: -69.228
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -65.924
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1118.503405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.503405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.903405 (E_RNA)
where:
Base-Base interactions energy: -628.389
where: short stacking energy: -262.739
Base-Backbone interact. energy: 1.366
local terms energy: -289.879842
where:
bonds (distance) C4'-P energy: -54.895
bonds (distance) P-C4' energy: -66.989
flat angles C4'-P-C4' energy: -62.600
flat angles P-C4'-P energy: -36.362
tors. eta vs tors. theta energy: -69.033
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1009.262174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.262174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.862174 (E_RNA)
where:
Base-Base interactions energy: -577.056
where: short stacking energy: -232.662
Base-Backbone interact. energy: 1.638
local terms energy: -257.444452
where:
bonds (distance) C4'-P energy: -38.330
bonds (distance) P-C4' energy: -72.266
flat angles C4'-P-C4' energy: -59.476
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1498.040484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.040484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.240483 (E_RNA)
where:
Base-Base interactions energy: -903.362
where: short stacking energy: -335.856
Base-Backbone interact. energy: -2.132
local terms energy: -383.747276
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -78.952
flat angles C4'-P-C4' energy: -85.654
flat angles P-C4'-P energy: -50.755
tors. eta vs tors. theta energy: -98.378
Dist. restrs. and SS energy: -208.800 (S_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: 495
Temperature: 0.950000
Total energy: -1475.920716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.920716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.920716 (E_RNA)
where:
Base-Base interactions energy: -884.605
where: short stacking energy: -366.013
Base-Backbone interact. energy: -0.966
local terms energy: -383.349660
where:
bonds (distance) C4'-P energy: -69.056
bonds (distance) P-C4' energy: -79.759
flat angles C4'-P-C4' energy: -80.697
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -100.646
Dist. restrs. and SS energy: -207.000 (S_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: 495
Temperature: 1.000000
Total energy: -1431.120777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.120777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.320777 (E_RNA)
where:
Base-Base interactions energy: -874.828
where: short stacking energy: -344.182
Base-Backbone interact. energy: -1.625
local terms energy: -354.867376
where:
bonds (distance) C4'-P energy: -62.175
bonds (distance) P-C4' energy: -71.349
flat angles C4'-P-C4' energy: -80.245
flat angles P-C4'-P energy: -49.032
tors. eta vs tors. theta energy: -92.066
Dist. restrs. and SS energy: -199.800 (S_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: 495
Temperature: 1.050000
Total energy: -1379.008562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.008562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.008562 (E_RNA)
where:
Base-Base interactions energy: -836.706
where: short stacking energy: -319.937
Base-Backbone interact. energy: -0.154
local terms energy: -326.148712
where:
bonds (distance) C4'-P energy: -64.506
bonds (distance) P-C4' energy: -59.359
flat angles C4'-P-C4' energy: -74.173
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -76.952
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1328.178933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.178933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.378933 (E_RNA)
where:
Base-Base interactions energy: -782.963
where: short stacking energy: -303.179
Base-Backbone interact. energy: 0.267
local terms energy: -336.683050
where:
bonds (distance) C4'-P energy: -63.384
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -77.458
flat angles P-C4'-P energy: -49.625
tors. eta vs tors. theta energy: -75.368
Dist. restrs. and SS energy: -208.800 (S_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: 495
Temperature: 1.150000
Total energy: -1255.402051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.402051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.202051 (E_RNA)
where:
Base-Base interactions energy: -735.905
where: short stacking energy: -285.170
Base-Backbone interact. energy: 2.137
local terms energy: -316.433727
where:
bonds (distance) C4'-P energy: -51.668
bonds (distance) P-C4' energy: -69.942
flat angles C4'-P-C4' energy: -69.209
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -77.182
Dist. restrs. and SS energy: -205.200 (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: 495
Temperature: 1.200000
Total energy: -1205.977612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.977612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.577612 (E_RNA)
where:
Base-Base interactions energy: -691.799
where: short stacking energy: -262.841
Base-Backbone interact. energy: -0.353
local terms energy: -301.426019
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -74.720
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -49.197
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1193.004944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.004944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.404944 (E_RNA)
where:
Base-Base interactions energy: -678.997
where: short stacking energy: -263.164
Base-Backbone interact. energy: -4.634
local terms energy: -307.774095
where:
bonds (distance) C4'-P energy: -52.402
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -53.418
tors. eta vs tors. theta energy: -69.130
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1126.682858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.682858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.882858 (E_RNA)
where:
Base-Base interactions energy: -634.825
where: short stacking energy: -242.620
Base-Backbone interact. energy: -0.760
local terms energy: -282.298634
where:
bonds (distance) C4'-P energy: -63.740
bonds (distance) P-C4' energy: -63.557
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -34.009
tors. eta vs tors. theta energy: -62.985
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1024.310276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.310276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.510276 (E_RNA)
where:
Base-Base interactions energy: -588.886
where: short stacking energy: -232.103
Base-Backbone interact. energy: -2.559
local terms energy: -251.065087
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -59.116
flat angles C4'-P-C4' energy: -52.603
flat angles P-C4'-P energy: -27.984
tors. eta vs tors. theta energy: -54.771
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1501.636796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.636796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.636796 (E_RNA)
where:
Base-Base interactions energy: -922.870
where: short stacking energy: -346.133
Base-Backbone interact. energy: -4.252
local terms energy: -367.514383
where:
bonds (distance) C4'-P energy: -75.365
bonds (distance) P-C4' energy: -67.991
flat angles C4'-P-C4' energy: -72.309
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -96.226
Dist. restrs. and SS energy: -207.000 (S_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: 496
Temperature: 0.950000
Total energy: -1444.447182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.447182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.247182 (E_RNA)
where:
Base-Base interactions energy: -863.668
where: short stacking energy: -353.056
Base-Backbone interact. energy: -2.561
local terms energy: -373.017625
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -74.965
flat angles C4'-P-C4' energy: -77.732
flat angles P-C4'-P energy: -49.756
tors. eta vs tors. theta energy: -103.424
Dist. restrs. and SS energy: -205.200 (S_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: 496
Temperature: 1.000000
Total energy: -1418.666193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.666193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.066193 (E_RNA)
where:
Base-Base interactions energy: -858.237
where: short stacking energy: -335.817
Base-Backbone interact. energy: 0.982
local terms energy: -359.811203
where:
bonds (distance) C4'-P energy: -66.237
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -80.105
flat angles P-C4'-P energy: -56.388
tors. eta vs tors. theta energy: -84.396
Dist. restrs. and SS energy: -201.600 (S_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: 496
Temperature: 1.050000
Total energy: -1383.151685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.151685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.751685 (E_RNA)
where:
Base-Base interactions energy: -829.350
where: short stacking energy: -330.354
Base-Backbone interact. energy: 5.558
local terms energy: -346.959735
where:
bonds (distance) C4'-P energy: -66.557
bonds (distance) P-C4' energy: -75.734
flat angles C4'-P-C4' energy: -73.073
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -80.668
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1328.862531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.862531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.462531 (E_RNA)
where:
Base-Base interactions energy: -790.899
where: short stacking energy: -315.999
Base-Backbone interact. energy: 1.151
local terms energy: -326.715120
where:
bonds (distance) C4'-P energy: -60.924
bonds (distance) P-C4' energy: -63.966
flat angles C4'-P-C4' energy: -71.960
flat angles P-C4'-P energy: -55.059
tors. eta vs tors. theta energy: -74.806
Dist. restrs. and SS energy: -212.400 (S_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: 496
Temperature: 1.150000
Total energy: -1280.021263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.021263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.221263 (E_RNA)
where:
Base-Base interactions energy: -740.966
where: short stacking energy: -296.553
Base-Backbone interact. energy: 0.492
local terms energy: -330.747968
where:
bonds (distance) C4'-P energy: -58.754
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -70.920
flat angles P-C4'-P energy: -63.079
tors. eta vs tors. theta energy: -78.108
Dist. restrs. and SS energy: -208.800 (S_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: 496
Temperature: 1.200000
Total energy: -1208.516701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.516701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.716701 (E_RNA)
where:
Base-Base interactions energy: -701.738
where: short stacking energy: -268.531
Base-Backbone interact. energy: 2.321
local terms energy: -291.299395
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -60.967
flat angles C4'-P-C4' energy: -71.336
flat angles P-C4'-P energy: -49.533
tors. eta vs tors. theta energy: -54.515
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1197.374427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.374427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.974427 (E_RNA)
where:
Base-Base interactions energy: -701.592
where: short stacking energy: -287.807
Base-Backbone interact. energy: 0.561
local terms energy: -301.943750
where:
bonds (distance) C4'-P energy: -63.018
bonds (distance) P-C4' energy: -61.556
flat angles C4'-P-C4' energy: -65.717
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -66.086
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1099.947881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.947881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.947881 (E_RNA)
where:
Base-Base interactions energy: -639.411
where: short stacking energy: -249.930
Base-Backbone interact. energy: -1.838
local terms energy: -251.698991
where:
bonds (distance) C4'-P energy: -46.221
bonds (distance) P-C4' energy: -56.521
flat angles C4'-P-C4' energy: -52.883
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: -64.689
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1034.051935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.051935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.651935 (E_RNA)
where:
Base-Base interactions energy: -582.877
where: short stacking energy: -235.613
Base-Backbone interact. energy: 3.901
local terms energy: -269.676577
where:
bonds (distance) C4'-P energy: -61.345
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -58.830
flat angles P-C4'-P energy: -39.397
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1500.368142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.368142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.968142 (E_RNA)
where:
Base-Base interactions energy: -896.992
where: short stacking energy: -351.290
Base-Backbone interact. energy: -2.886
local terms energy: -397.090604
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -77.673
flat angles C4'-P-C4' energy: -84.946
flat angles P-C4'-P energy: -61.584
tors. eta vs tors. theta energy: -99.511
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1448.216761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.216761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.216761 (E_RNA)
where:
Base-Base interactions energy: -853.709
where: short stacking energy: -337.431
Base-Backbone interact. energy: -4.093
local terms energy: -383.415217
where:
bonds (distance) C4'-P energy: -73.749
bonds (distance) P-C4' energy: -82.027
flat angles C4'-P-C4' energy: -80.581
flat angles P-C4'-P energy: -60.325
tors. eta vs tors. theta energy: -86.733
Dist. restrs. and SS energy: -207.000 (S_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: 497
Temperature: 1.000000
Total energy: -1406.240404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.240404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.440404 (E_RNA)
where:
Base-Base interactions energy: -858.729
where: short stacking energy: -321.319
Base-Backbone interact. energy: 0.147
local terms energy: -347.858980
where:
bonds (distance) C4'-P energy: -72.930
bonds (distance) P-C4' energy: -70.530
flat angles C4'-P-C4' energy: -70.184
flat angles P-C4'-P energy: -50.339
tors. eta vs tors. theta energy: -83.875
Dist. restrs. and SS energy: -199.800 (S_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: 497
Temperature: 1.050000
Total energy: -1377.954275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.954275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.154275 (E_RNA)
where:
Base-Base interactions energy: -818.354
where: short stacking energy: -317.670
Base-Backbone interact. energy: 0.833
local terms energy: -342.633110
where:
bonds (distance) C4'-P energy: -69.494
bonds (distance) P-C4' energy: -65.102
flat angles C4'-P-C4' energy: -72.607
flat angles P-C4'-P energy: -60.270
tors. eta vs tors. theta energy: -75.160
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1313.643219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.643219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.043219 (E_RNA)
where:
Base-Base interactions energy: -780.242
where: short stacking energy: -309.458
Base-Backbone interact. energy: -0.711
local terms energy: -322.090143
where:
bonds (distance) C4'-P energy: -59.413
bonds (distance) P-C4' energy: -61.123
flat angles C4'-P-C4' energy: -75.751
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -79.867
Dist. restrs. and SS energy: -210.600 (S_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: 497
Temperature: 1.150000
Total energy: -1291.732879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.532879 (E_RNA)
where:
Base-Base interactions energy: -762.036
where: short stacking energy: -304.445
Base-Backbone interact. energy: 1.263
local terms energy: -325.759883
where:
bonds (distance) C4'-P energy: -65.020
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -69.070
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -82.894
Dist. restrs. and SS energy: -205.200 (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: 497
Temperature: 1.200000
Total energy: -1226.962935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.962935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.962935 (E_RNA)
where:
Base-Base interactions energy: -728.938
where: short stacking energy: -297.541
Base-Backbone interact. energy: 0.738
local terms energy: -282.762898
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -58.078
flat angles C4'-P-C4' energy: -65.162
flat angles P-C4'-P energy: -45.761
tors. eta vs tors. theta energy: -66.071
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1185.860193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.860193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.260193 (E_RNA)
where:
Base-Base interactions energy: -688.830
where: short stacking energy: -274.543
Base-Backbone interact. energy: 1.389
local terms energy: -305.819843
where:
bonds (distance) C4'-P energy: -70.370
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -69.063
flat angles P-C4'-P energy: -44.797
tors. eta vs tors. theta energy: -67.074
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1077.420882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.420882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.220882 (E_RNA)
where:
Base-Base interactions energy: -622.890
where: short stacking energy: -230.818
Base-Backbone interact. energy: 0.729
local terms energy: -268.059726
where:
bonds (distance) C4'-P energy: -57.626
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -52.518
Dist. restrs. and SS energy: -187.200 (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: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1022.009550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.009550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.409550 (E_RNA)
where:
Base-Base interactions energy: -571.997
where: short stacking energy: -232.401
Base-Backbone interact. energy: -1.689
local terms energy: -264.723202
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -67.761
flat angles C4'-P-C4' energy: -59.788
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: -53.392
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1492.334190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.334190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.534190 (E_RNA)
where:
Base-Base interactions energy: -912.103
where: short stacking energy: -334.007
Base-Backbone interact. energy: -3.155
local terms energy: -368.276465
where:
bonds (distance) C4'-P energy: -68.418
bonds (distance) P-C4' energy: -67.814
flat angles C4'-P-C4' energy: -80.695
flat angles P-C4'-P energy: -55.725
tors. eta vs tors. theta energy: -95.625
Dist. restrs. and SS energy: -208.800 (S_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: 498
Temperature: 0.950000
Total energy: -1464.570191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.570191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.570191 (E_RNA)
where:
Base-Base interactions energy: -872.103
where: short stacking energy: -343.123
Base-Backbone interact. energy: -2.378
local terms energy: -383.089941
where:
bonds (distance) C4'-P energy: -74.922
bonds (distance) P-C4' energy: -70.631
flat angles C4'-P-C4' energy: -85.020
flat angles P-C4'-P energy: -56.103
tors. eta vs tors. theta energy: -96.414
Dist. restrs. and SS energy: -207.000 (S_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: 498
Temperature: 1.000000
Total energy: -1394.564198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.564198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.164198 (E_RNA)
where:
Base-Base interactions energy: -848.808
where: short stacking energy: -326.044
Base-Backbone interact. energy: 3.007
local terms energy: -336.363781
where:
bonds (distance) C4'-P energy: -59.641
bonds (distance) P-C4' energy: -66.790
flat angles C4'-P-C4' energy: -77.322
flat angles P-C4'-P energy: -52.341
tors. eta vs tors. theta energy: -80.271
Dist. restrs. and SS energy: -212.400 (S_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: 498
Temperature: 1.050000
Total energy: -1390.595164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.595164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.795164 (E_RNA)
where:
Base-Base interactions energy: -842.746
where: short stacking energy: -317.736
Base-Backbone interact. energy: -1.408
local terms energy: -346.640888
where:
bonds (distance) C4'-P energy: -71.293
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -73.345
flat angles P-C4'-P energy: -55.692
tors. eta vs tors. theta energy: -84.605
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1301.837385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.837385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.837385 (E_RNA)
where:
Base-Base interactions energy: -772.104
where: short stacking energy: -330.477
Base-Backbone interact. energy: 1.070
local terms energy: -323.804070
where:
bonds (distance) C4'-P energy: -53.319
bonds (distance) P-C4' energy: -71.551
flat angles C4'-P-C4' energy: -60.177
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -83.106
Dist. restrs. and SS energy: -207.000 (S_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: 498
Temperature: 1.150000
Total energy: -1287.865968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.865968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.665968 (E_RNA)
where:
Base-Base interactions energy: -772.663
where: short stacking energy: -304.227
Base-Backbone interact. energy: -2.421
local terms energy: -298.582144
where:
bonds (distance) C4'-P energy: -62.994
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -69.849
Dist. restrs. and SS energy: -214.200 (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: 498
Temperature: 1.200000
Total energy: -1205.364911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.364911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.164911 (E_RNA)
where:
Base-Base interactions energy: -693.076
where: short stacking energy: -273.782
Base-Backbone interact. energy: -2.578
local terms energy: -295.510788
where:
bonds (distance) C4'-P energy: -54.248
bonds (distance) P-C4' energy: -60.356
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -63.043
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1157.263971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.263971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.463971 (E_RNA)
where:
Base-Base interactions energy: -692.959
where: short stacking energy: -271.827
Base-Backbone interact. energy: 0.483
local terms energy: -273.988383
where:
bonds (distance) C4'-P energy: -61.152
bonds (distance) P-C4' energy: -58.682
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -30.726
tors. eta vs tors. theta energy: -60.333
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1026.112007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.112007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.912007 (E_RNA)
where:
Base-Base interactions energy: -585.768
where: short stacking energy: -241.129
Base-Backbone interact. energy: -1.627
local terms energy: -260.517825
where:
bonds (distance) C4'-P energy: -54.922
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -53.248
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -55.771
Dist. restrs. and SS energy: -178.200 (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: 498
Temperature: 1.350000
Total energy: -1026.632770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.632770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.632770 (E_RNA)
where:
Base-Base interactions energy: -580.507
where: short stacking energy: -235.270
Base-Backbone interact. energy: 0.836
local terms energy: -257.961929
where:
bonds (distance) C4'-P energy: -57.729
bonds (distance) P-C4' energy: -51.442
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -43.903
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1487.190369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.190369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.190369 (E_RNA)
where:
Base-Base interactions energy: -910.231
where: short stacking energy: -359.354
Base-Backbone interact. energy: -3.319
local terms energy: -366.640271
where:
bonds (distance) C4'-P energy: -61.952
bonds (distance) P-C4' energy: -77.246
flat angles C4'-P-C4' energy: -78.710
flat angles P-C4'-P energy: -53.691
tors. eta vs tors. theta energy: -95.042
Dist. restrs. and SS energy: -207.000 (S_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: 499
Temperature: 0.950000
Total energy: -1468.816217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.816217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.616217 (E_RNA)
where:
Base-Base interactions energy: -880.741
where: short stacking energy: -351.285
Base-Backbone interact. energy: -0.274
local terms energy: -382.601170
where:
bonds (distance) C4'-P energy: -79.438
bonds (distance) P-C4' energy: -61.110
flat angles C4'-P-C4' energy: -79.423
flat angles P-C4'-P energy: -60.551
tors. eta vs tors. theta energy: -102.080
Dist. restrs. and SS energy: -205.200 (S_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: 499
Temperature: 1.000000
Total energy: -1407.574714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.574714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.574714 (E_RNA)
where:
Base-Base interactions energy: -870.399
where: short stacking energy: -329.801
Base-Backbone interact. energy: -0.354
local terms energy: -320.822036
where:
bonds (distance) C4'-P energy: -58.899
bonds (distance) P-C4' energy: -63.259
flat angles C4'-P-C4' energy: -69.715
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -84.452
Dist. restrs. and SS energy: -216.000 (S_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: 499
Temperature: 1.050000
Total energy: -1374.489708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.489708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.289708 (E_RNA)
where:
Base-Base interactions energy: -849.321
where: short stacking energy: -314.097
Base-Backbone interact. energy: -2.877
local terms energy: -326.091584
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -71.448
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -85.560
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1343.284485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.284485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.084485 (E_RNA)
where:
Base-Base interactions energy: -804.495
where: short stacking energy: -338.971
Base-Backbone interact. energy: -1.283
local terms energy: -332.305739
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -64.489
flat angles C4'-P-C4' energy: -74.653
flat angles P-C4'-P energy: -50.314
tors. eta vs tors. theta energy: -84.687
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1284.880955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.880955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.480955 (E_RNA)
where:
Base-Base interactions energy: -753.238
where: short stacking energy: -281.254
Base-Backbone interact. energy: -0.525
local terms energy: -318.717257
where:
bonds (distance) C4'-P energy: -72.792
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -71.115
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -72.577
Dist. restrs. and SS energy: -212.400 (S_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: 499
Temperature: 1.200000
Total energy: -1254.306016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.306016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.906016 (E_RNA)
where:
Base-Base interactions energy: -730.735
where: short stacking energy: -300.176
Base-Backbone interact. energy: -1.168
local terms energy: -310.003406
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -60.863
flat angles C4'-P-C4' energy: -75.997
flat angles P-C4'-P energy: -47.403
tors. eta vs tors. theta energy: -68.793
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1142.460495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.460495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.060495 (E_RNA)
where:
Base-Base interactions energy: -658.829
where: short stacking energy: -250.185
Base-Backbone interact. energy: -0.062
local terms energy: -289.169973
where:
bonds (distance) C4'-P energy: -56.851
bonds (distance) P-C4' energy: -69.174
flat angles C4'-P-C4' energy: -76.258
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -48.321
Dist. restrs. and SS energy: -194.400 (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: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1021.699335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.699335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.699335 (E_RNA)
where:
Base-Base interactions energy: -573.405
where: short stacking energy: -246.256
Base-Backbone interact. energy: -0.864
local terms energy: -267.429757
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -71.069
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -51.736
Dist. restrs. and SS energy: -180.000 (S_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: 499
Temperature: 1.350000
Total energy: -1059.665917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.665917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.465917 (E_RNA)
where:
Base-Base interactions energy: -601.899
where: short stacking energy: -242.267
Base-Backbone interact. energy: -2.240
local terms energy: -268.326666
where:
bonds (distance) C4'-P energy: -44.062
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -64.033
flat angles P-C4'-P energy: -51.028
tors. eta vs tors. theta energy: -71.340
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1501.528042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.528042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.328042 (E_RNA)
where:
Base-Base interactions energy: -896.428
where: short stacking energy: -347.364
Base-Backbone interact. energy: -3.381
local terms energy: -396.519045
where:
bonds (distance) C4'-P energy: -76.083
bonds (distance) P-C4' energy: -76.949
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -58.517
tors. eta vs tors. theta energy: -103.330
Dist. restrs. and SS energy: -205.200 (S_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: 500
Temperature: 0.950000
Total energy: -1458.475559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.475559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.475559 (E_RNA)
where:
Base-Base interactions energy: -880.949
where: short stacking energy: -352.713
Base-Backbone interact. energy: -1.808
local terms energy: -368.718052
where:
bonds (distance) C4'-P energy: -73.385
bonds (distance) P-C4' energy: -68.784
flat angles C4'-P-C4' energy: -76.475
flat angles P-C4'-P energy: -57.460
tors. eta vs tors. theta energy: -92.615
Dist. restrs. and SS energy: -207.000 (S_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: 500
Temperature: 1.000000
Total energy: -1416.762756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.762756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.162756 (E_RNA)
where:
Base-Base interactions energy: -858.701
where: short stacking energy: -326.369
Base-Backbone interact. energy: -1.807
local terms energy: -354.654471
where:
bonds (distance) C4'-P energy: -63.716
bonds (distance) P-C4' energy: -74.472
flat angles C4'-P-C4' energy: -79.847
flat angles P-C4'-P energy: -49.671
tors. eta vs tors. theta energy: -86.950
Dist. restrs. and SS energy: -201.600 (S_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: 500
Temperature: 1.050000
Total energy: -1390.544276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.544276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.344276 (E_RNA)
where:
Base-Base interactions energy: -849.137
where: short stacking energy: -316.069
Base-Backbone interact. energy: -0.625
local terms energy: -326.582468
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -63.063
flat angles C4'-P-C4' energy: -77.607
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -79.550
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1314.524053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.524053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.324053 (E_RNA)
where:
Base-Base interactions energy: -796.984
where: short stacking energy: -303.236
Base-Backbone interact. energy: -2.470
local terms energy: -309.870257
where:
bonds (distance) C4'-P energy: -59.977
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -70.556
flat angles P-C4'-P energy: -50.708
tors. eta vs tors. theta energy: -72.255
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1280.220846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.220846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.820846 (E_RNA)
where:
Base-Base interactions energy: -766.976
where: short stacking energy: -287.401
Base-Backbone interact. energy: -0.741
local terms energy: -300.103743
where:
bonds (distance) C4'-P energy: -66.705
bonds (distance) P-C4' energy: -55.901
flat angles C4'-P-C4' energy: -79.251
flat angles P-C4'-P energy: -35.715
tors. eta vs tors. theta energy: -62.531
Dist. restrs. and SS energy: -212.400 (S_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: 500
Temperature: 1.200000
Total energy: -1154.348310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.348310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.148310 (E_RNA)
where:
Base-Base interactions energy: -671.705
where: short stacking energy: -265.868
Base-Backbone interact. energy: -2.594
local terms energy: -283.850121
where:
bonds (distance) C4'-P energy: -54.772
bonds (distance) P-C4' energy: -64.451
flat angles C4'-P-C4' energy: -64.225
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -67.897
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1203.425387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.425387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.225387 (E_RNA)
where:
Base-Base interactions energy: -691.993
where: short stacking energy: -263.393
Base-Backbone interact. energy: 0.458
local terms energy: -297.690859
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -69.297
flat angles C4'-P-C4' energy: -74.444
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -56.764
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1071.542859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.542859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.142859 (E_RNA)
where:
Base-Base interactions energy: -627.744
where: short stacking energy: -260.448
Base-Backbone interact. energy: -1.362
local terms energy: -257.037398
where:
bonds (distance) C4'-P energy: -52.486
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -61.323
flat angles P-C4'-P energy: -37.613
tors. eta vs tors. theta energy: -64.100
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1004.803702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.803702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.403702 (E_RNA)
where:
Base-Base interactions energy: -567.194
where: short stacking energy: -230.948
Base-Backbone interact. energy: -1.852
local terms energy: -250.358281
where:
bonds (distance) C4'-P energy: -52.948
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -76.275
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -48.151
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1513.988099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.988099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.188099 (E_RNA)
where:
Base-Base interactions energy: -937.001
where: short stacking energy: -359.277
Base-Backbone interact. energy: -0.430
local terms energy: -367.757373
where:
bonds (distance) C4'-P energy: -79.361
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -56.044
tors. eta vs tors. theta energy: -96.517
Dist. restrs. and SS energy: -208.800 (S_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: 501
Temperature: 0.950000
Total energy: -1435.489223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.489223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.089223 (E_RNA)
where:
Base-Base interactions energy: -872.505
where: short stacking energy: -345.077
Base-Backbone interact. energy: -7.452
local terms energy: -352.132178
where:
bonds (distance) C4'-P energy: -60.637
bonds (distance) P-C4' energy: -66.790
flat angles C4'-P-C4' energy: -89.653
flat angles P-C4'-P energy: -52.195
tors. eta vs tors. theta energy: -82.856
Dist. restrs. and SS energy: -203.400 (S_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: 501
Temperature: 1.000000
Total energy: -1424.301519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.301519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.501519 (E_RNA)
where:
Base-Base interactions energy: -859.261
where: short stacking energy: -341.945
Base-Backbone interact. energy: -3.272
local terms energy: -361.968248
where:
bonds (distance) C4'-P energy: -74.308
bonds (distance) P-C4' energy: -66.401
flat angles C4'-P-C4' energy: -76.456
flat angles P-C4'-P energy: -56.248
tors. eta vs tors. theta energy: -88.555
Dist. restrs. and SS energy: -199.800 (S_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: 501
Temperature: 1.050000
Total energy: -1375.601815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.601815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.201815 (E_RNA)
where:
Base-Base interactions energy: -836.735
where: short stacking energy: -309.495
Base-Backbone interact. energy: 0.400
local terms energy: -326.866871
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -69.367
flat angles C4'-P-C4' energy: -70.231
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -83.304
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1306.942401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.942401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.942401 (E_RNA)
where:
Base-Base interactions energy: -762.631
where: short stacking energy: -315.669
Base-Backbone interact. energy: 0.191
local terms energy: -337.502124
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -69.450
flat angles C4'-P-C4' energy: -74.579
flat angles P-C4'-P energy: -46.918
tors. eta vs tors. theta energy: -82.212
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1301.547935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.547935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.947935 (E_RNA)
where:
Base-Base interactions energy: -771.801
where: short stacking energy: -292.211
Base-Backbone interact. energy: 1.023
local terms energy: -320.169550
where:
bonds (distance) C4'-P energy: -68.152
bonds (distance) P-C4' energy: -59.494
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -56.113
tors. eta vs tors. theta energy: -69.130
Dist. restrs. and SS energy: -210.600 (S_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: 501
Temperature: 1.200000
Total energy: -1151.366336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.366336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.966336 (E_RNA)
where:
Base-Base interactions energy: -663.823
where: short stacking energy: -273.512
Base-Backbone interact. energy: -5.534
local terms energy: -287.609429
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -56.756
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -65.164
Dist. restrs. and SS energy: -194.400 (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: 501
Temperature: 1.250000
Total energy: -1172.522228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.522228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.322228 (E_RNA)
where:
Base-Base interactions energy: -673.276
where: short stacking energy: -261.905
Base-Backbone interact. energy: 1.467
local terms energy: -286.512545
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -63.860
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1095.400203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.400203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.000203 (E_RNA)
where:
Base-Base interactions energy: -607.356
where: short stacking energy: -249.005
Base-Backbone interact. energy: -1.262
local terms energy: -292.382094
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -62.186
flat angles C4'-P-C4' energy: -70.226
flat angles P-C4'-P energy: -45.514
tors. eta vs tors. theta energy: -62.430
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -1033.791939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.791939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.191939 (E_RNA)
where:
Base-Base interactions energy: -584.847
where: short stacking energy: -226.504
Base-Backbone interact. energy: 0.116
local terms energy: -265.461740
where:
bonds (distance) C4'-P energy: -56.579
bonds (distance) P-C4' energy: -53.275
flat angles C4'-P-C4' energy: -68.578
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -48.248
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 58726779
moves confirmed later: 66010627
all moves confirmed: 124737406
percent of confirmed moves: 15.592176
current total energy: -1450.811769
recalc. total energy: -1450.811769
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 54615109
moves confirmed later: 60461095
all moves confirmed: 115076204
percent of confirmed moves: 14.384526
current total energy: -1374.322308
recalc. total energy: -1374.322308
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 58965633
moves confirmed later: 66224557
all moves confirmed: 125190190
percent of confirmed moves: 15.648774
current total energy: -1330.323124
recalc. total energy: -1330.323124
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 60263381
moves confirmed later: 67975436
all moves confirmed: 128238817
percent of confirmed moves: 16.029852
current total energy: -1263.806375
recalc. total energy: -1263.806375
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 62316853
moves confirmed later: 70764867
all moves confirmed: 133081720
percent of confirmed moves: 16.635215
current total energy: -1219.041856
recalc. total energy: -1219.041856
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 75642161
moves confirmed later: 88623592
all moves confirmed: 164265753
percent of confirmed moves: 20.533219
current total energy: -1222.879899
recalc. total energy: -1222.879899
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 68625379
moves confirmed later: 79034476
all moves confirmed: 147659855
percent of confirmed moves: 18.457482
current total energy: -1071.356753
recalc. total energy: -1071.356753
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 73569031
moves confirmed later: 85639509
all moves confirmed: 159208540
percent of confirmed moves: 19.901067
current total energy: -1052.898436
recalc. total energy: -1052.898436
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 66283305
moves confirmed later: 76078546
all moves confirmed: 142361851
percent of confirmed moves: 17.795231
current total energy: -889.133711
recalc. total energy: -889.133711
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 75142662
moves confirmed later: 87090831
all moves confirmed: 162233493
percent of confirmed moves: 20.279187
current total energy: -936.661721
recalc. total energy: -936.661721
out arg RESULTS//1/WNV115-f50c9ba1_01
Time of doing 8000000 iterations: 23085.993 seconds